2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

C117H120Cl4N12O7 — CID 158465593

About 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 158465593) has the molecular formula C117H120Cl4N12O7 and a molecular weight of 1948.14 g/mol. Its IUPAC name is 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
• PubChem CID: 158465593
• Molecular Formula: C117H120Cl4N12O7
• Molecular Weight: 1948.14 g/mol
• Exact Mass: 1944.82
• IUPAC Name: 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
• SMILES: Cc1c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)n(Cc2ccc(Cl)cc2)c2ccccc12.Cc1cccc2cc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)n(Cc3ccc(Cl)cc3)c12.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(CN2CCCCC2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC2C(=O)N(Cc3ccccc3)CC2C1
• InChI: InChI=1S/C30H28ClN3O2.2C30H30ClN3O2.C27H32ClN3O/c31-25-12-10-22(11-13-25)18-34-27-9-5-4-8-23(27)16-28(34)30(36)32-15-14-26-24(19-32)20-33(29(26)35)17-21-6-2-1-3-7-21;1-21-6-5-9-25-18-27(34(28(21)25)20-23-10-12-26(31)13-11-23)30(36)33-16-14-24(15-17-33)29(35)32-19-22-7-3-2-4-8-22;1-21-26-9-5-6-10-27(26)34(20-23-11-13-25(31)14-12-23)28(21)30(36)33-17-15-24(16-18-33)29(35)32-19-22-7-3-2-4-8-22;28-24-10-8-21(9-11-24)20-31-25-7-3-2-6-23(25)18-26(31)27(32)30-16-12-22(13-17-30)19-29-14-4-1-5-15-29/h1-13,16,24,26H,14-15,17-20H2;2-13,18,24H,14-17,19-20H2,1H3,(H,32,35);2-14,24H,15-20H2,1H3,(H,32,35);2-3,6-11,18,22H,1,4-5,12-17,19-20H2
• InChIKey: HFSDARJMDZHIPB-UHFFFAOYSA-N
• XLogP: 22.78
• TPSA: 182.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.14
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?

The IUPAC name of 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (CID 158465593) is 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.

What is the SMILES notation for 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?

The canonical SMILES for 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)n(Cc2ccc(Cl)cc2)c2ccccc12.Cc1cccc2cc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)n(Cc3ccc(Cl)cc3)c12.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(CN2CCCCC2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC2C(=O)N(Cc3ccccc3)CC2C1.

What is the InChIKey of 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?

The InChIKey is HFSDARJMDZHIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O2.2C30H30ClN3O2.C27H32ClN3O/c31-25-12-10-22(11-13-25)18-34-27-9-5-4-8-23(27)16-28(34)30(36)32-15-14-26-24(19-32)20-33(29(26)35)17-21-6-2-1-3-7-21;1-21-6-5-9-25-18-27(34(28(21)25)20-23-10-12-26(31)13-11-23)30(36)33-16-14-24(15-17-33)29(35)32-19-22-7-3-2-4-8-22;1-21-26-9-5-6-10-27(26)34(20-23-11-13-25(31)14-12-23)28(21)30(36)33-17-15-24(16-18-33)29(35)32-19-22-7-3-2-4-8-22;28-24-10-8-21(9-11-24)20-31-25-7-3-2-6-23(25)18-26(31)27(32)30-16-12-22(13-17-30)19-29-14-4-1-5-15-29/h1-13,16,24,26H,14-15,17-20H2;2-13,18,24H,14-17,19-20H2,1H3,(H,32,35);2-14,24H,15-20H2,1H3,(H,32,35);2-3,6-11,18,22H,1,4-5,12-17,19-20H2.

What are the key properties of 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?

2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 1948.14 g/mol, XLogP of 22.78, 22 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-5-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-3,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-1-one;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-3-methylindole-2-carbonyl]piperidine-4-carboxamide;N-benzyl-1-[1-[(4-chlorophenyl)methyl]-7-methylindole-2-carbonyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 158465593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).