1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

C130H154Cl2F3N15O9S3 — CID 158853902

About 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 158853902) has the molecular formula C130H154Cl2F3N15O9S3 and a molecular weight of 2294.86 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-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-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-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
• PubChem CID: 158853902
• Molecular Formula: C130H154Cl2F3N15O9S3
• Molecular Weight: 2294.86 g/mol
• Exact Mass: 2292.05
• IUPAC Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(Cl)cccc12.CCCCC1CCN(CCCn2cc(C(=O)C3CC3)c3cccc(OC)c32)CC1.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c12.COc1cccc2c1C(CCCN1CCC(c3nc4ccccc4s3)CC1)C=C2C(C)=O
• InChI: InChI=1S/C29H36N4O2S.C27H30N2O2S.C25H26ClN3OS.C25H36N2O2.C24H26ClF3N4O2/c1-20(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;1-18(30)22-17-20(26-21(22)8-5-10-24(26)31-2)7-6-14-29-15-12-19(13-16-29)27-28-23-9-3-4-11-25(23)32-27;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;1-3-4-7-19-12-16-26(17-13-19)14-6-15-27-18-22(25(28)20-10-11-20)21-8-5-9-23(29-2)24(21)27;1-16(33)19-15-32(22-18(19)5-3-6-21(22)34-2)8-4-7-30-9-11-31(12-10-30)23-20(25)13-17(14-29-23)24(26,27)28/h4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,30,34);3-5,8-11,17,19-20H,6-7,12-16H2,1-2H3;2-4,6-9,16,18H,5,10-15H2,1H3;5,8-9,18-20H,3-4,6-7,10-17H2,1-2H3;3,5-6,13-15H,4,7-12H2,1-2H3
• InChIKey: IZUKIVJRNXZZFP-UHFFFAOYSA-N
• XLogP: 28.99
• TPSA: 225.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 39
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2294.86
LogP ≤ 5	28.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

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-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-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-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone (CID 158853902) is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-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-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-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-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2c(Cl)cccc12.CCCCC1CCN(CCCn2cc(C(=O)C3CC3)c3cccc(OC)c32)CC1.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c12.COc1cccc2c1C(CCCN1CCC(c3nc4ccccc4s3)CC1)C=C2C(C)=O.

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-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?

The InChIKey is IZUKIVJRNXZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2S.C27H30N2O2S.C25H26ClN3OS.C25H36N2O2.C24H26ClF3N4O2/c1-20(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;1-18(30)22-17-20(26-21(22)8-5-10-24(26)31-2)7-6-14-29-15-12-19(13-16-29)27-28-23-9-3-4-11-25(23)32-27;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;1-3-4-7-19-12-16-26(17-13-19)14-6-15-27-18-22(25(28)20-10-11-20)21-8-5-9-23(29-2)24(21)27;1-16(33)19-15-32(22-18(19)5-3-6-21(22)34-2)8-4-7-30-9-11-31(12-10-30)23-20(25)13-17(14-29-23)24(26,27)28/h4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,30,34);3-5,8-11,17,19-20H,6-7,12-16H2,1-2H3;2-4,6-9,16,18H,5,10-15H2,1H3;5,8-9,18-20H,3-4,6-7,10-17H2,1-2H3;3,5-6,13-15H,4,7-12H2,1-2H3.

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-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone?

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 2294.86 g/mol, XLogP of 28.99, 39 rotatable bonds, 1 hydrogen bond donors, and 26 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-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-4-methoxy-3H-inden-1-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 158853902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).