1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide

C110H134Br2Cl3N11O9 — CID 159596883

About 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide

1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide (PubChem CID 159596883) has the molecular formula C110H134Br2Cl3N11O9 and a molecular weight of 2020.52 g/mol. Its IUPAC name is 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
• PubChem CID: 159596883
• Molecular Formula: C110H134Br2Cl3N11O9
• Molecular Weight: 2020.52 g/mol
• Exact Mass: 2015.78
• IUPAC Name: 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
• SMILES: CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2c(Br)cccc12.CCCCCC1CC2CCC(C1)N2CCCn1cc(C(C)=O)c2cccc(Br)c21.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12
• InChI: InChI=1S/C33H39ClN4O3.C28H34ClN3O3.C25H35BrN2O.C24H26BrClN2O2/c1-25-6-3-7-26(22-25)23-35-33(39)30-24-38(32-29(30)8-4-9-31(32)40-2)15-5-14-36-16-18-37(19-17-36)20-21-41-28-12-10-27(34)11-13-28;1-34-26-5-2-4-24-25(28(33)21-6-7-21)20-32(27(24)26)13-3-12-30-14-16-31(17-15-30)18-19-35-23-10-8-22(29)9-11-23;1-3-4-5-8-19-15-20-11-12-21(16-19)28(20)14-7-13-27-17-23(18(2)29)22-9-6-10-24(26)25(22)27;1-17(29)20-16-28(24-19(20)6-4-7-21(24)25)13-5-12-27-14-10-18(11-15-27)30-23-9-3-2-8-22(23)26/h3-4,6-13,22,24H,5,14-21,23H2,1-2H3,(H,35,39);2,4-5,8-11,20-21H,3,6-7,12-19H2,1H3;6,9-10,17,19-21H,3-5,7-8,11-16H2,1-2H3;2-4,6-9,16,18H,5,10-15H2,1H3
• InChIKey: MKYRZFVLFVDZEX-UHFFFAOYSA-N
• XLogP: 23.62
• TPSA: 165.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.52
LogP ≤ 5	23.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?

The IUPAC name of 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide (CID 159596883) is 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide.

What is the SMILES notation for 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?

The canonical SMILES for 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide is CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2c(Br)cccc12.CCCCCC1CC2CCC(C1)N2CCCn1cc(C(C)=O)c2cccc(Br)c21.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12.

What is the InChIKey of 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?

The InChIKey is MKYRZFVLFVDZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39ClN4O3.C28H34ClN3O3.C25H35BrN2O.C24H26BrClN2O2/c1-25-6-3-7-26(22-25)23-35-33(39)30-24-38(32-29(30)8-4-9-31(32)40-2)15-5-14-36-16-18-37(19-17-36)20-21-41-28-12-10-27(34)11-13-28;1-34-26-5-2-4-24-25(28(33)21-6-7-21)20-32(27(24)26)13-3-12-30-14-16-31(17-15-30)18-19-35-23-10-8-22(29)9-11-23;1-3-4-5-8-19-15-20-11-12-21(16-19)28(20)14-7-13-27-17-23(18(2)29)22-9-6-10-24(26)25(22)27;1-17(29)20-16-28(24-19(20)6-4-7-21(24)25)13-5-12-27-14-10-18(11-15-27)30-23-9-3-2-8-22(23)26/h3-4,6-13,22,24H,5,14-21,23H2,1-2H3,(H,35,39);2,4-5,8-11,20-21H,3,6-7,12-19H2,1H3;6,9-10,17,19-21H,3-5,7-8,11-16H2,1-2H3;2-4,6-9,16,18H,5,10-15H2,1H3.

What are the key properties of 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?

1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide has a molecular weight of 2020.52 g/mol, XLogP of 23.62, 39 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-bromo-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;[1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 159596883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).