1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone

C172H193Cl2N21O10S6 — CID 160617151

About 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone (PubChem CID 160617151) has the molecular formula C172H193Cl2N21O10S6 and a molecular weight of 2977.88 g/mol. Its IUPAC name is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone
• PubChem CID: 160617151
• Molecular Formula: C172H193Cl2N21O10S6
• Molecular Weight: 2977.88 g/mol
• Exact Mass: 2974.29
• IUPAC Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone
• SMILES: C=C(C=C(C)C)CNC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(OC)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(C)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(Cl)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12
• InChI: InChI=1S/C32H33ClN4O2S.C32H38N4O2S.C29H36N4O2S.C28H31N3O2S.C26H29N3OS.C25H26ClN3OS/c1-39-28-11-5-9-25-26(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;1-22(2)19-23(3)20-33-31(37)26-21-36(30-25(26)9-7-11-28(30)38-4)16-8-15-35-17-13-24(14-18-35)32-34-27-10-5-6-12-29(27)39-32;1-20(2)18-30-28(34)23-19-33(27-22(23)8-6-10-25(27)35-3)15-7-14-32-16-12-21(13-17-32)29-31-24-9-4-5-11-26(24)36-29;1-33-24-8-4-6-21-22(27(32)19-10-11-19)18-31(26(21)24)15-5-14-30-16-12-20(13-17-30)28-29-23-7-2-3-9-25(23)34-28;1-18-7-5-8-21-22(19(2)30)17-29(25(18)21)14-6-13-28-15-11-20(12-16-28)26-27-23-9-3-4-10-24(23)31-26;1-17(30)20-16-29(24-19(20)6-4-7-21(24)26)13-5-12-28-14-10-18(11-15-28)25-27-22-8-2-3-9-23(22)31-25/h2-5,7-12,19,21,23H,6,13-18,20H2,1H3,(H,34,38);5-7,9-12,19,21,24H,3,8,13-18,20H2,1-2,4H3,(H,33,37);4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,30,34);2-4,6-9,18-20H,5,10-17H2,1H3;3-5,7-10,17,20H,6,11-16H2,1-2H3;2-4,6-9,16,18H,5,10-15H2,1H3
• InChIKey: RGFXKUNGUAZYGS-UHFFFAOYSA-N
• XLogP: 38.34
• TPSA: 301.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 48
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2977.88
LogP ≤ 5	38.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone (CID 160617151) is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone is C=C(C=C(C)C)CNC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(OC)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(C)cccc12.CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(Cl)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.

What is the InChIKey of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone?

The InChIKey is RGFXKUNGUAZYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN4O2S.C32H38N4O2S.C29H36N4O2S.C28H31N3O2S.C26H29N3OS.C25H26ClN3OS/c1-39-28-11-5-9-25-26(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;1-22(2)19-23(3)20-33-31(37)26-21-36(30-25(26)9-7-11-28(30)38-4)16-8-15-35-17-13-24(14-18-35)32-34-27-10-5-6-12-29(27)39-32;1-20(2)18-30-28(34)23-19-33(27-22(23)8-6-10-25(27)35-3)15-7-14-32-16-12-21(13-17-32)29-31-24-9-4-5-11-26(24)36-29;1-33-24-8-4-6-21-22(27(32)19-10-11-19)18-31(26(21)24)15-5-14-30-16-12-20(13-17-30)28-29-23-7-2-3-9-25(23)34-28;1-18-7-5-8-21-22(19(2)30)17-29(25(18)21)14-6-13-28-15-11-20(12-16-28)26-27-23-9-3-4-10-24(23)31-26;1-17(30)20-16-29(24-19(20)6-4-7-21(24)26)13-5-12-28-14-10-18(11-15-28)25-27-22-8-2-3-9-23(22)31-25/h2-5,7-12,19,21,23H,6,13-18,20H2,1H3,(H,34,38);5-7,9-12,19,21,24H,3,8,13-18,20H2,1-2,4H3,(H,33,37);4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,30,34);2-4,6-9,18-20H,5,10-17H2,1H3;3-5,7-10,17,20H,6,11-16H2,1-2H3;2-4,6-9,16,18H,5,10-15H2,1H3.

What are the key properties of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone?

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone has a molecular weight of 2977.88 g/mol, XLogP of 38.34, 48 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-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-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(4-methyl-2-methylidenepent-3-enyl)indole-3-carboxamide;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone is sourced from PubChem (CID 160617151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).