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

C130H150Cl3FN12O9 — CID 157422613

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

1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone (PubChem CID 157422613) has the molecular formula C130H150Cl3FN12O9 and a molecular weight of 2150.06 g/mol. Its IUPAC name is 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone
• PubChem CID: 157422613
• Molecular Formula: C130H150Cl3FN12O9
• Molecular Weight: 2150.06 g/mol
• Exact Mass: 2147.07
• IUPAC Name: 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccccc12.CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.CCCCCC1CC2CCC(C1)N2CCCn1cc(C(C)=O)c2ccccc21.COc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C(C)=O)c2ccccc21)C3.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12
• InChI: InChI=1S/C30H31ClFN3O2.C26H29ClN2O2.C25H27N3O2.C25H36N2O.C24H27ClN2O2/c31-23-6-3-5-22(19-23)20-33-30(36)28-21-35(29-8-2-1-7-27(28)29)16-4-15-34-17-13-26(14-18-34)37-25-11-9-24(32)10-12-25;1-18(30)25-17-28(26-6-3-2-5-24(25)26)13-4-14-29-20-9-10-21(29)16-23(15-20)31-22-11-7-19(27)8-12-22;1-17(29)22-15-28(25-7-4-3-6-20(22)25)12-5-11-27-13-10-19-21-14-18(30-2)8-9-23(21)26-24(19)16-27;1-3-4-5-9-20-16-21-12-13-22(17-20)27(21)15-8-14-26-18-24(19(2)28)23-10-6-7-11-25(23)26;1-18(28)21-17-27(23-9-4-2-7-20(21)23)14-6-13-26-15-11-19(12-16-26)29-24-10-5-3-8-22(24)25/h1-3,5-12,19,21,26H,4,13-18,20H2,(H,33,36);2-3,5-8,11-12,17,20-21,23H,4,9-10,13-16H2,1H3;3-4,6-9,14-15,26H,5,10-13,16H2,1-2H3;6-7,10-11,18,20-22H,3-5,8-9,12-17H2,1-2H3;2-5,7-10,17,19H,6,11-16H2,1H3
• InChIKey: BPOWQYWPWZNCPX-UHFFFAOYSA-N
• XLogP: 28.53
• TPSA: 190.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 38
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.06
LogP ≤ 5	28.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone (CID 157422613) is 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone.

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

The canonical SMILES for 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccccc12.CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.CCCCCC1CC2CCC(C1)N2CCCn1cc(C(C)=O)c2ccccc21.COc1ccc2[nH]c3c(c2c1)CCN(CCCn1cc(C(C)=O)c2ccccc21)C3.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.

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

The InChIKey is BPOWQYWPWZNCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClFN3O2.C26H29ClN2O2.C25H27N3O2.C25H36N2O.C24H27ClN2O2/c31-23-6-3-5-22(19-23)20-33-30(36)28-21-35(29-8-2-1-7-27(28)29)16-4-15-34-17-13-26(14-18-34)37-25-11-9-24(32)10-12-25;1-18(30)25-17-28(26-6-3-2-5-24(25)26)13-4-14-29-20-9-10-21(29)16-23(15-20)31-22-11-7-19(27)8-12-22;1-17(29)22-15-28(25-7-4-3-6-20(22)25)12-5-11-27-13-10-19-21-14-18(30-2)8-9-23(21)26-24(19)16-27;1-3-4-5-9-20-16-21-12-13-22(17-20)27(21)15-8-14-26-18-24(19(2)28)23-10-6-7-11-25(23)26;1-18(28)21-17-27(23-9-4-2-7-20(21)23)14-6-13-26-15-11-19(12-16-26)29-24-10-5-3-8-22(24)25/h1-3,5-12,19,21,26H,4,13-18,20H2,(H,33,36);2-3,5-8,11-12,17,20-21,23H,4,9-10,13-16H2,1H3;3-4,6-9,14-15,26H,5,10-13,16H2,1-2H3;6-7,10-11,18,20-22H,3-5,8-9,12-17H2,1-2H3;2-5,7-10,17,19H,6,11-16H2,1H3.

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

1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone has a molecular weight of 2150.06 g/mol, XLogP of 28.53, 38 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 157422613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).