1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone

C120H139Cl3F3N13O9S — CID 160899595

About 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone

1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 160899595) has the molecular formula C120H139Cl3F3N13O9S and a molecular weight of 2102.93 g/mol. Its IUPAC name is 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 160899595
• Molecular Formula: C120H139Cl3F3N13O9S
• Molecular Weight: 2102.93 g/mol
• Exact Mass: 2099.96
• IUPAC Name: 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: CCCCC1CCN(CCCn2cc(C(=O)NCc3cccc(C)c3)c3cccc(OC)c32)CC1.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(CCOc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(C(F)(F)F)cc4)CC3)c12
• InChI: InChI=1S/C33H37Cl2N3O3.C32H33ClN4O2S.C30H41N3O2.C25H28F3N3O2/c1-40-31-8-3-7-29-30(33(39)36-22-25-5-2-6-27(35)21-25)23-38(32(29)31)17-4-16-37-18-13-24(14-19-37)15-20-41-28-11-9-26(34)10-12-28;1-39-28-11-5-9-25-26(31(38)34-20-22-7-4-8-24(33)19-22)21-37(30(25)28)16-6-15-36-17-13-23(14-18-36)32-35-27-10-2-3-12-29(27)40-32;1-4-5-10-24-14-18-32(19-15-24)16-8-17-33-22-27(26-12-7-13-28(35-3)29(26)33)30(34)31-21-25-11-6-9-23(2)20-25;1-18(32)22-17-31(24-21(22)5-3-6-23(24)33-2)12-4-11-29-13-15-30(16-14-29)20-9-7-19(8-10-20)25(26,27)28/h2-3,5-12,21,23-24H,4,13-20,22H2,1H3,(H,36,39);2-5,7-12,19,21,23H,6,13-18,20H2,1H3,(H,34,38);6-7,9,11-13,20,22,24H,4-5,8,10,14-19,21H2,1-3H3,(H,31,34);3,5-10,17H,4,11-16H2,1-2H3
• InChIKey: SPICCHKJRFGEJP-UHFFFAOYSA-N
• XLogP: 25.83
• TPSA: 199.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 39
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2102.93
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone (CID 160899595) is 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone is CCCCC1CCN(CCCn2cc(C(=O)NCc3cccc(C)c3)c3cccc(OC)c32)CC1.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(CCOc4ccc(Cl)cc4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ccc(C(F)(F)F)cc4)CC3)c12.

What is the InChIKey of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is SPICCHKJRFGEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37Cl2N3O3.C32H33ClN4O2S.C30H41N3O2.C25H28F3N3O2/c1-40-31-8-3-7-29-30(33(39)36-22-25-5-2-6-27(35)21-25)23-38(32(29)31)17-4-16-37-18-13-24(14-19-37)15-20-41-28-11-9-26(34)10-12-28;1-39-28-11-5-9-25-26(31(38)34-20-22-7-4-8-24(33)19-22)21-37(30(25)28)16-6-15-36-17-13-23(14-18-36)32-35-27-10-2-3-12-29(27)40-32;1-4-5-10-24-14-18-32(19-15-24)16-8-17-33-22-27(26-12-7-13-28(35-3)29(26)33)30(34)31-21-25-11-6-9-23(2)20-25;1-18(32)22-17-31(24-21(22)5-3-6-23(24)33-2)12-4-11-29-13-15-30(16-14-29)20-9-7-19(8-10-20)25(26,27)28/h2-3,5-12,21,23-24H,4,13-20,22H2,1H3,(H,36,39);2-5,7-12,19,21,23H,6,13-18,20H2,1H3,(H,34,38);6-7,9,11-13,20,22,24H,4-5,8,10,14-19,21H2,1-3H3,(H,31,34);3,5-10,17H,4,11-16H2,1-2H3.

What are the key properties of 1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone?

1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 2102.93 g/mol, XLogP of 25.83, 39 rotatable bonds, 3 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]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 160899595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).