1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone

C137H158ClFN14O11S — CID 158841789

About 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 158841789) has the molecular formula C137H158ClFN14O11S and a molecular weight of 2263.38 g/mol. Its IUPAC name is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 158841789
• Molecular Formula: C137H158ClFN14O11S
• Molecular Weight: 2263.38 g/mol
• Exact Mass: 2261.16
• IUPAC Name: 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: COc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C(C)=O)c2cccc(OC)c21)C3.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(C(C)c4ccccc4)CC3)c12.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12
• InChI: InChI=1S/C34H38ClN3O.C26H29N3O3.C26H29N3O2S.C26H33N3O2.C25H29FN2O3/c35-28-15-13-26(14-16-28)23-36-34(39)32-24-37(33-10-5-4-9-31(32)33)19-6-20-38-29-17-18-30(38)22-27(21-29)12-11-25-7-2-1-3-8-25;1-17(30)22-15-29(26-20(22)6-4-7-25(26)32-3)12-5-11-28-13-10-19-21-14-18(31-2)8-9-23(21)27-24(19)16-28;1-18(30)21-17-29(25-20(21)7-5-9-23(25)31-2)14-6-13-28-15-11-19(12-16-28)26-27-22-8-3-4-10-24(22)32-26;1-20(22-9-5-4-6-10-22)28-17-15-27(16-18-28)13-8-14-29-19-24(21(2)30)23-11-7-12-25(31-3)26(23)29;1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20/h1-5,7-10,13-16,24,27,29-30H,6,11-12,17-23H2,(H,36,39);4,6-9,14-15,27H,5,10-13,16H2,1-3H3;3-5,7-10,17,19H,6,11-16H2,1-2H3;4-7,9-12,19-20H,8,13-18H2,1-3H3;3,5-10,17,21H,4,11-16H2,1-2H3
• InChIKey: IYIJYFGIPPBTEO-UHFFFAOYSA-N
• XLogP: 27.56
• TPSA: 225.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 40
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2263.38
LogP ≤ 5	27.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', '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-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone (CID 158841789) is 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone is COc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C(C)=O)c2cccc(OC)c21)C3.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(c4nc5ccccc5s4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCN(C(C)c4ccccc4)CC3)c12.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.

What is the InChIKey of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is IYIJYFGIPPBTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38ClN3O.C26H29N3O3.C26H29N3O2S.C26H33N3O2.C25H29FN2O3/c35-28-15-13-26(14-16-28)23-36-34(39)32-24-37(33-10-5-4-9-31(32)33)19-6-20-38-29-17-18-30(38)22-27(21-29)12-11-25-7-2-1-3-8-25;1-17(30)22-15-29(26-20(22)6-4-7-25(26)32-3)12-5-11-28-13-10-19-21-14-18(31-2)8-9-23(21)27-24(19)16-28;1-18(30)21-17-29(25-20(21)7-5-9-23(25)31-2)14-6-13-28-15-11-19(12-16-28)26-27-22-8-3-4-10-24(22)32-26;1-20(22-9-5-4-6-10-22)28-17-15-27(16-18-28)13-8-14-29-19-24(21(2)30)23-11-7-12-25(31-3)26(23)29;1-18(29)23-17-28(25-22(23)5-3-6-24(25)30-2)14-4-13-27-15-11-21(12-16-27)31-20-9-7-19(26)8-10-20/h1-5,7-10,13-16,24,27,29-30H,6,11-12,17-23H2,(H,36,39);4,6-9,14-15,27H,5,10-13,16H2,1-3H3;3-5,7-10,17,19H,6,11-16H2,1-2H3;4-7,9-12,19-20H,8,13-18H2,1-3H3;3,5-10,17,21H,4,11-16H2,1-2H3.

What are the key properties of 1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 2263.38 g/mol, XLogP of 27.56, 40 rotatable bonds, 2 hydrogen bond donors, and 24 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-methoxyindol-3-yl]ethanone;N-[(4-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 158841789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).