Murcko scaffold

2-(2-Piperazin-1-ylethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione scaffold

24 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 23
Chemicals: 24
With full pages: 4

Scaffold SMILES

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCNCC1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold Open the 2-(2-Piperazin-1-ylethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione page

Murcko scaffold O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCNCC1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 24 of 24 chemicals

1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-

CAS 96807-70-4C₁₈H₁₈N₄O₄

2-(2-Piperazin-1-ylethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

CAS 66235-11-8C₁₈H₁₉N₃O₂

4-[2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide

CAS 304645-35-0C₂₂H₂₄N₄O₂S

2-{2-[4-(Methylsulfonyl)-1-piperazinyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

CAS 385786-30-1C₁₉H₂₁N₃O₄S

Methyl {4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazin-1-yl}(oxo)acetate

CAS 500267-49-2C₂₁H₂₁N₃O₅

4-(2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-ethylpiperazine-1-carbothioamide

CAS 496777-26-5C₂₁H₂₄N₄O₂S

2-[4-[2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]acetamide

CAS 609791-81-3C₂₀H₂₂N₄O₃

2-(2-(4-Pivaloylpiperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

CAS 304645-33-8C₂₃H₂₇N₃O₃

2-(2-(4-Acetylpiperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

CAS 723250-15-5C₂₀H₂₁N₃O₃

$3-(2-{4-[3-(tert-Butoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione chemical structure, C25H33N3O4, CAS 901663-29-4$

3-(2-{4-[3-(tert-Butoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione

CAS 901663-29-4C₂₅H₃₃N₃O₄

2-(2-(4-(2-Hydroxy-3-(prop-2-yn-1-yloxy)propyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

CAS 923680-78-8C₂₄H₂₇N₃O₄

$3-(2-{4-[2-Hydroxy-3-(prop-2-en-1-yloxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione chemical structure, C24H29N3O4, CAS 923150-28-1$

3-(2-{4-[2-Hydroxy-3-(prop-2-en-1-yloxy)propyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione

CAS 923150-28-1C₂₄H₂₉N₃O₄

2-(2-(4-(3-Butoxy-2-hydroxypropyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione dihydrochloride

CAS 1215595-79-1C₂₅H₃₅Cl₂N₃O₄

2-(2-(4-(2-Hydroxy-3-((2-methylbut-3-en-2-yl)oxy)propyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

CAS 946258-90-8C₂₆H₃₃N₃O₄

2-(4-(2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazin-1-yl)-N-neopentylacetamide

CAS 2034534-31-9C₂₅H₃₂N₄O₃

2-(4-(2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazin-1-yl)acetic acid

CAS 2034536-50-8C₂₀H₂₁N₃O₄

Ethyl 2-(4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazin-1-yl)acetate

CAS 2034256-57-8C₂₂H₂₅N₃O₄

N-(2-Cyanoethyl)-2-(4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazin-1-yl)-N-methylacetamide

CAS 2034267-44-0C₂₄H₂₇N₅O₃

$2-[4-(2-{2,4-Dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide chemical structure, C22H23F3N4O3, CAS 2549016-26-2$

2-[4-(2-{2,4-Dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

CAS 2549016-26-2C₂₂H₂₃F₃N₄O₃

$2-[4-(2-{2,4-Dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide chemical structure, C25H32N4O3, CAS 2548999-66-0$

2-[4-(2-{2,4-Dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide

CAS 2548999-66-0C₂₅H₃₂N₄O₃

$2-[4-(2-{2,4-Dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]-N-pentylacetamide chemical structure, C25H32N4O3, CAS 2548977-56-4$

2-[4-(2-{2,4-Dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]-N-pentylacetamide

CAS 2548977-56-4C₂₅H₃₂N₄O₃

$N-[3-(Dimethylamino)propyl]-2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetamide chemical structure, C25H33N5O3, CAS 2549018-79-1$

N-[3-(Dimethylamino)propyl]-2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetamide

CAS 2549018-79-1C₂₅H₃₃N₅O₃

$2-[4-(2-{2,4-Dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]-N-[3-(propan-2-yloxy)propyl]acetamide chemical structure, C26H34N4O4, CAS 2549015-39-4$