1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate

C132H140ClFN16O16 — CID 160658114

About 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate

1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate (PubChem CID 160658114) has the molecular formula C132H140ClFN16O16 and a molecular weight of 2261.12 g/mol. Its IUPAC name is 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate.

Molecular Properties

• Compound Name: 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate
• PubChem CID: 160658114
• Molecular Formula: C132H140ClFN16O16
• Molecular Weight: 2261.12 g/mol
• Exact Mass: 2259.03
• IUPAC Name: 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate
• SMILES: CC(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.CN1CCN(C(=O)C(=O)c2c[nH]c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc23)CC1.COC(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.COc1cc2[nH]cc(C(=O)C(=O)N3CCN(C)CC3)c2cc1C(=O)N1CCC(Cc2ccccc2)CC1.Cn1ccnc1C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12
• InChI: InChI=1S/C29H34N4O4.C28H32N4O3.C27H26ClFN4O2.C24H24N2O4.C24H24N2O3/c1-31-12-14-33(15-13-31)29(36)27(34)24-19-30-25-18-26(37-2)23(17-22(24)25)28(35)32-10-8-21(9-11-32)16-20-6-4-3-5-7-20;1-30-13-15-32(16-14-30)28(35)26(33)24-19-29-25-8-7-22(18-23(24)25)27(34)31-11-9-21(10-12-31)17-20-5-3-2-4-6-20;1-31-12-9-30-26(31)25(34)22-16-32(2)24-15-23(28)21(14-20(22)24)27(35)33-10-7-18(8-11-33)13-17-3-5-19(29)6-4-17;1-30-24(29)22(27)20-15-25-21-8-7-18(14-19(20)21)23(28)26-11-9-17(10-12-26)13-16-5-3-2-4-6-16;1-16(27)23(28)21-15-25-22-8-7-19(14-20(21)22)24(29)26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h3-7,17-19,21,30H,8-16H2,1-2H3;2-8,18-19,21,29H,9-17H2,1H3;3-6,9,12,14-16,18H,7-8,10-11,13H2,1-2H3;2-8,14-15,17,25H,9-13H2,1H3;2-8,14-15,18,25H,9-13H2,1H3
• InChIKey: RLHVAAXHYBAWQF-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 372.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2261.12
LogP ≤ 5	19.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate?

The IUPAC name of 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate (CID 160658114) is 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate.

What is the SMILES notation for 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate?

The canonical SMILES for 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate is CC(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.CN1CCN(C(=O)C(=O)c2c[nH]c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc23)CC1.COC(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.COc1cc2[nH]cc(C(=O)C(=O)N3CCN(C)CC3)c2cc1C(=O)N1CCC(Cc2ccccc2)CC1.Cn1ccnc1C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.

What is the InChIKey of 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate?

The InChIKey is RLHVAAXHYBAWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4.C28H32N4O3.C27H26ClFN4O2.C24H24N2O4.C24H24N2O3/c1-31-12-14-33(15-13-31)29(36)27(34)24-19-30-25-18-26(37-2)23(17-22(24)25)28(35)32-10-8-21(9-11-32)16-20-6-4-3-5-7-20;1-30-13-15-32(16-14-30)28(35)26(33)24-19-29-25-8-7-22(18-23(24)25)27(34)31-11-9-21(10-12-31)17-20-5-3-2-4-6-20;1-31-12-9-30-26(31)25(34)22-16-32(2)24-15-23(28)21(14-20(22)24)27(35)33-10-7-18(8-11-33)13-17-3-5-19(29)6-4-17;1-30-24(29)22(27)20-15-25-21-8-7-18(14-19(20)21)23(28)26-11-9-17(10-12-26)13-16-5-3-2-4-6-16;1-16(27)23(28)21-15-25-22-8-7-19(14-20(21)22)24(29)26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h3-7,17-19,21,30H,8-16H2,1-2H3;2-8,18-19,21,29H,9-17H2,1H3;3-6,9,12,14-16,18H,7-8,10-11,13H2,1-2H3;2-8,14-15,17,25H,9-13H2,1H3;2-8,14-15,18,25H,9-13H2,1H3.

What are the key properties of 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate?

1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate has a molecular weight of 2261.12 g/mol, XLogP of 19.13, 26 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;[6-chloro-1-methyl-3-(1-methylimidazole-2-carbonyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;methyl 2-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2-oxoacetate is sourced from PubChem (CID 160658114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).