1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate

C127H153ClFN13O9S2 — CID 158176804

About 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate (PubChem CID 158176804) has the molecular formula C127H153ClFN13O9S2 and a molecular weight of 2124.29 g/mol. Its IUPAC name is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate
• PubChem CID: 158176804
• Molecular Formula: C127H153ClFN13O9S2
• Molecular Weight: 2124.29 g/mol
• Exact Mass: 2122.10
• IUPAC Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate
• SMILES: CC(=O)c1cn(CCCN2CCC(CCC(C)C)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.CC(C)CNC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.COC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12
• InChI: InChI=1S/C28H34N4OS.C27H31ClN2O3.C25H27N3OS.C24H27FN2O3.C23H34N2O/c1-20(2)18-29-27(33)23-19-32(25-10-5-3-8-22(23)25)15-7-14-31-16-12-21(13-17-31)28-30-24-9-4-6-11-26(24)34-28;1-32-25-9-4-6-21-22(27(31)19-10-11-19)18-30(26(21)25)15-5-14-29-16-12-20(13-17-29)33-24-8-3-2-7-23(24)28;1-18(29)21-17-28(23-9-4-2-7-20(21)23)14-6-13-27-15-11-19(12-16-27)25-26-22-8-3-5-10-24(22)30-25;1-29-24(28)22-17-27(23-6-3-2-5-21(22)23)14-4-13-26-15-11-20(12-16-26)30-19-9-7-18(25)8-10-19;1-18(2)9-10-20-11-15-24(16-12-20)13-6-14-25-17-22(19(3)26)21-7-4-5-8-23(21)25/h3-6,8-11,19-21H,7,12-18H2,1-2H3,(H,29,33);2-4,6-9,18-20H,5,10-17H2,1H3;2-5,7-10,17,19H,6,11-16H2,1H3;2-3,5-10,17,20H,4,11-16H2,1H3;4-5,7-8,17-18,20H,6,9-16H2,1-3H3
• InChIKey: FYCFVFZKQTTYQE-UHFFFAOYSA-N
• XLogP: 27.34
• TPSA: 200.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 38
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2124.29
LogP ≤ 5	27.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate?

The IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate (CID 158176804) is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate.

What is the SMILES notation for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate?

The canonical SMILES for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate is CC(=O)c1cn(CCCN2CCC(CCC(C)C)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.CC(C)CNC(=O)c1cn(CCCN2CCC(c3nc4ccccc4s3)CC2)c2ccccc12.COC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.

What is the InChIKey of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate?

The InChIKey is FYCFVFZKQTTYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4OS.C27H31ClN2O3.C25H27N3OS.C24H27FN2O3.C23H34N2O/c1-20(2)18-29-27(33)23-19-32(25-10-5-3-8-22(23)25)15-7-14-31-16-12-21(13-17-31)28-30-24-9-4-6-11-26(24)34-28;1-32-25-9-4-6-21-22(27(31)19-10-11-19)18-30(26(21)25)15-5-14-29-16-12-20(13-17-29)33-24-8-3-2-7-23(24)28;1-18(29)21-17-28(23-9-4-2-7-20(21)23)14-6-13-27-15-11-19(12-16-27)25-26-22-8-3-5-10-24(22)30-25;1-29-24(28)22-17-27(23-6-3-2-5-21(22)23)14-4-13-26-15-11-20(12-16-26)30-19-9-7-18(25)8-10-19;1-18(2)9-10-20-11-15-24(16-12-20)13-6-14-25-17-22(19(3)26)21-7-4-5-8-23(21)25/h3-6,8-11,19-21H,7,12-18H2,1-2H3,(H,29,33);2-4,6-9,18-20H,5,10-17H2,1H3;2-5,7-10,17,19H,6,11-16H2,1H3;2-3,5-10,17,20H,4,11-16H2,1H3;4-5,7-8,17-18,20H,6,9-16H2,1-3H3.

What are the key properties of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate?

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate has a molecular weight of 2124.29 g/mol, XLogP of 27.34, 38 rotatable bonds, 1 hydrogen bond donors, and 23 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]indol-3-yl]ethanone;1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;methyl 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxylate is sourced from PubChem (CID 158176804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).