N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C122H145N15O24 — CID 163658033

About N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 163658033) has the molecular formula C122H145N15O24 and a molecular weight of 2205.58 g/mol. Its IUPAC name is N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
• PubChem CID: 163658033
• Molecular Formula: C122H145N15O24
• Molecular Weight: 2205.58 g/mol
• Exact Mass: 2204.06
• IUPAC Name: N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
• SMILES: COCCNC(=O)C(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CC(C)(C)CC3=O)C(=O)C(=O)NC3CC3)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCC3=O)C(=O)C(C)=O)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCCC1=O)NC(=O)C1CC2(CC2)CN1C(=O)c1cc2ccccc2[nH]1
• InChI: InChI=1S/C32H40N4O6.C32H34N4O5.C30H38N4O7.C28H33N3O6/c1-32(2)14-18(25(37)15-32)12-23(28(38)30(40)33-19-10-11-19)35-29(39)27-20-7-4-6-17(20)16-36(27)31(41)24-13-21-22(34-24)8-5-9-26(21)42-3;37-27-12-6-10-22(27)16-24(28(38)30(40)33-18-20-7-2-1-3-8-20)35-29(39)26-17-32(13-14-32)19-36(26)31(41)25-15-21-9-4-5-11-23(21)34-25;1-40-13-12-31-29(38)27(36)22(14-17-6-4-10-24(17)35)33-28(37)26-19-8-3-7-18(19)16-34(26)30(39)23-15-20-21(32-23)9-5-11-25(20)41-2;1-15(32)26(34)21(12-16-6-4-10-23(16)33)30-27(35)25-18-8-3-7-17(18)14-31(25)28(36)22-13-19-20(29-22)9-5-11-24(19)37-2/h5,8-9,13,17-20,23,27,34H,4,6-7,10-12,14-16H2,1-3H3,(H,33,40)(H,35,39);1-5,7-9,11,15,22,24,26,34H,6,10,12-14,16-19H2,(H,33,40)(H,35,39);5,9,11,15,17-19,22,26,32H,3-4,6-8,10,12-14,16H2,1-2H3,(H,31,38)(H,33,37);5,9,11,13,16-18,21,25,29H,3-4,6-8,10,12,14H2,1-2H3,(H,30,35)
• InChIKey: IRXWDZPEBHTECB-UHFFFAOYSA-N
• XLogP: 11.25
• TPSA: 538.65 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.58
LogP ≤ 5	11.25
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

The IUPAC name of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 163658033) is N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

What is the SMILES notation for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

The canonical SMILES for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is COCCNC(=O)C(=O)C(CC1CCCC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CC(C)(C)CC3=O)C(=O)C(=O)NC3CC3)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCC3=O)C(=O)C(C)=O)cc12.O=C(NCc1ccccc1)C(=O)C(CC1CCCC1=O)NC(=O)C1CC2(CC2)CN1C(=O)c1cc2ccccc2[nH]1.

What is the InChIKey of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

The InChIKey is IRXWDZPEBHTECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O6.C32H34N4O5.C30H38N4O7.C28H33N3O6/c1-32(2)14-18(25(37)15-32)12-23(28(38)30(40)33-19-10-11-19)35-29(39)27-20-7-4-6-17(20)16-36(27)31(41)24-13-21-22(34-24)8-5-9-26(21)42-3;37-27-12-6-10-22(27)16-24(28(38)30(40)33-18-20-7-2-1-3-8-20)35-29(39)26-17-32(13-14-32)19-36(26)31(41)25-15-21-9-4-5-11-23(21)34-25;1-40-13-12-31-29(38)27(36)22(14-17-6-4-10-24(17)35)33-28(37)26-19-8-3-7-18(19)16-34(26)30(39)23-15-20-21(32-23)9-5-11-25(20)41-2;1-15(32)26(34)21(12-16-6-4-10-23(16)33)30-27(35)25-18-8-3-7-17(18)14-31(25)28(36)22-13-19-20(29-22)9-5-11-24(19)37-2/h5,8-9,13,17-20,23,27,34H,4,6-7,10-12,14-16H2,1-3H3,(H,33,40)(H,35,39);1-5,7-9,11,15,22,24,26,34H,6,10,12-14,16-19H2,(H,33,40)(H,35,39);5,9,11,15,17-19,22,26,32H,3-4,6-8,10,12-14,16H2,1-2H3,(H,31,38)(H,33,37);5,9,11,13,16-18,21,25,29H,3-4,6-8,10,12,14H2,1-2H3,(H,30,35).

What are the key properties of N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?

N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 2205.58 g/mol, XLogP of 11.25, 37 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(benzylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[4-(cyclopropylamino)-1-(4,4-dimethyl-2-oxocyclopentyl)-3,4-dioxobutan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[3,4-dioxo-1-(2-oxocyclopentyl)pentan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide;N-[4-(2-methoxyethylamino)-3,4-dioxo-1-(2-oxocyclopentyl)butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 163658033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).