1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one

C104H134Cl2FN9O8 — CID 158170101

About 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one

1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one (PubChem CID 158170101) has the molecular formula C104H134Cl2FN9O8 and a molecular weight of 1728.17 g/mol. Its IUPAC name is 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one
• PubChem CID: 158170101
• Molecular Formula: C104H134Cl2FN9O8
• Molecular Weight: 1728.17 g/mol
• Exact Mass: 1725.97
• IUPAC Name: 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one
• SMILES: CCC(=O)c1cn(CCCN2CCC(c3ccccc3OC)CC2)c2ccccc12.CCCCCC1CC2CCC(C1)N2CCCn1cc(C(C)=O)c2cccc(Cl)c21.CCCOC1CCN(CCCn2cc(CC)c3cccc(OC)c32)CC1.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12
• InChI: InChI=1S/C31H33ClFN3O3.C26H32N2O2.C25H35ClN2O.C22H34N2O2/c1-38-29-8-3-7-27-28(31(37)34-20-22-5-2-6-23(32)19-22)21-36(30(27)29)16-4-15-35-17-13-26(14-18-35)39-25-11-9-24(33)10-12-25;1-3-25(29)23-19-28(24-11-6-4-10-22(23)24)16-8-15-27-17-13-20(14-18-27)21-9-5-7-12-26(21)30-2;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;1-4-16-26-19-10-14-23(15-11-19)12-7-13-24-17-18(5-2)20-8-6-9-21(25-3)22(20)24/h2-3,5-12,19,21,26H,4,13-18,20H2,1H3,(H,34,37);4-7,9-12,19-20H,3,8,13-18H2,1-2H3;6,9-10,17,19-21H,3-5,7-8,11-16H2,1-2H3;6,8-9,17,19H,4-5,7,10-16H2,1-3H3
• InChIKey: FXIQDSURRPNFJD-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 142.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 36
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1728.17
LogP ≤ 5	23.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one?

The IUPAC name of 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one (CID 158170101) is 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one.

What is the SMILES notation for 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one?

The canonical SMILES for 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one is CCC(=O)c1cn(CCCN2CCC(c3ccccc3OC)CC2)c2ccccc12.CCCCCC1CC2CCC(C1)N2CCCn1cc(C(C)=O)c2cccc(Cl)c21.CCCOC1CCN(CCCn2cc(CC)c3cccc(OC)c32)CC1.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12.

What is the InChIKey of 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one?

The InChIKey is FXIQDSURRPNFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClFN3O3.C26H32N2O2.C25H35ClN2O.C22H34N2O2/c1-38-29-8-3-7-27-28(31(37)34-20-22-5-2-6-23(32)19-22)21-36(30(27)29)16-4-15-35-17-13-26(14-18-35)39-25-11-9-24(33)10-12-25;1-3-25(29)23-19-28(24-11-6-4-10-22(23)24)16-8-15-27-17-13-20(14-18-27)21-9-5-7-12-26(21)30-2;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;1-4-16-26-19-10-14-23(15-11-19)12-7-13-24-17-18(5-2)20-8-6-9-21(25-3)22(20)24/h2-3,5-12,19,21,26H,4,13-18,20H2,1H3,(H,34,37);4-7,9-12,19-20H,3,8,13-18H2,1-2H3;6,9-10,17,19-21H,3-5,7-8,11-16H2,1-2H3;6,8-9,17,19H,4-5,7,10-16H2,1-3H3.

What are the key properties of 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one?

1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one has a molecular weight of 1728.17 g/mol, XLogP of 23.02, 36 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-chloro-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindole-3-carboxamide;3-ethyl-7-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indole;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]propan-1-one is sourced from PubChem (CID 158170101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).