[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide

C128H150ClFN12O9S — CID 159849835

About [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide

[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide (PubChem CID 159849835) has the molecular formula C128H150ClFN12O9S and a molecular weight of 2087.20 g/mol. Its IUPAC name is [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide
• PubChem CID: 159849835
• Molecular Formula: C128H150ClFN12O9S
• Molecular Weight: 2087.20 g/mol
• Exact Mass: 2085.10
• IUPAC Name: [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide
• SMILES: CCCCCC1CC2CCC(C1)N2CCCn1cc(C(=O)NCc2cccc(C)c2)c2cccc(OC)c21.COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12
• InChI: InChI=1S/C33H39FN4O2.C33H45N3O2.C31H35ClN2O3.C31H31N3O2S/c1-25-7-3-8-27(21-25)22-35-33(39)30-24-38(32-29(30)9-4-10-31(32)40-2)18-6-16-36-15-5-17-37(20-19-36)23-26-11-13-28(34)14-12-26;1-4-5-6-11-25-20-27-15-16-28(21-25)36(27)18-9-17-35-23-30(29-13-8-14-31(38-3)32(29)35)33(37)34-22-26-12-7-10-24(2)19-26;1-37-29-5-2-4-26-27(31(36)22-6-7-22)19-33(30(26)29)14-3-15-34-24-12-13-25(34)17-20(16-24)18-28(35)21-8-10-23(32)11-9-21;1-36-27-13-7-11-24-25(30(35)22-9-3-2-4-10-22)21-34(29(24)27)18-8-17-33-19-15-23(16-20-33)31-32-26-12-5-6-14-28(26)37-31/h3-4,7-14,21,24H,5-6,15-20,22-23H2,1-2H3,(H,35,39);7-8,10,12-14,19,23,25,27-28H,4-6,9,11,15-18,20-22H2,1-3H3,(H,34,37);2,4-5,8-11,19-20,22,24-25H,3,6-7,12-18H2,1H3;2-7,9-14,21,23H,8,15-20H2,1H3
• InChIKey: NPUDOIBYYNXLLH-UHFFFAOYSA-N
• XLogP: 26.29
• TPSA: 195.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 40
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2087.20
LogP ≤ 5	26.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide?

The IUPAC name of [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide (CID 159849835) is [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide.

What is the SMILES notation for [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide?

The canonical SMILES for [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide is CCCCCC1CC2CCC(C1)N2CCCn1cc(C(=O)NCc2cccc(C)c2)c2cccc(OC)c21.COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(CC(=O)c3ccc(Cl)cc3)C4)c12.COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.

What is the InChIKey of [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide?

The InChIKey is NPUDOIBYYNXLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39FN4O2.C33H45N3O2.C31H35ClN2O3.C31H31N3O2S/c1-25-7-3-8-27(21-25)22-35-33(39)30-24-38(32-29(30)9-4-10-31(32)40-2)18-6-16-36-15-5-17-37(20-19-36)23-26-11-13-28(34)14-12-26;1-4-5-6-11-25-20-27-15-16-28(21-25)36(27)18-9-17-35-23-30(29-13-8-14-31(38-3)32(29)35)33(37)34-22-26-12-7-10-24(2)19-26;1-37-29-5-2-4-26-27(31(36)22-6-7-22)19-33(30(26)29)14-3-15-34-24-12-13-25(34)17-20(16-24)18-28(35)21-8-10-23(32)11-9-21;1-36-27-13-7-11-24-25(30(35)22-9-3-2-4-10-22)21-34(29(24)27)18-8-17-33-19-15-23(16-20-33)31-32-26-12-5-6-14-28(26)37-31/h3-4,7-14,21,24H,5-6,15-20,22-23H2,1-2H3,(H,35,39);7-8,10,12-14,19,23,25,27-28H,4-6,9,11,15-18,20-22H2,1-3H3,(H,34,37);2,4-5,8-11,19-20,22,24-25H,3,6-7,12-18H2,1H3;2-7,9-14,21,23H,8,15-20H2,1H3.

What are the key properties of [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide?

[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide has a molecular weight of 2087.20 g/mol, XLogP of 26.29, 40 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-(4-chlorophenyl)-2-[8-[3-[3-(cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]ethanone;1-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide is sourced from PubChem (CID 159849835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).