1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone

C133H160BrCl2F2N11O11 — CID 159768961

About 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone

1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone (PubChem CID 159768961) has the molecular formula C133H160BrCl2F2N11O11 and a molecular weight of 2277.61 g/mol. Its IUPAC name is 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone
• PubChem CID: 159768961
• Molecular Formula: C133H160BrCl2F2N11O11
• Molecular Weight: 2277.61 g/mol
• Exact Mass: 2274.08
• IUPAC Name: 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2c(C)cccc12.CCCCC1CCN(CCCn2cc(C(=O)c3ccccc3)c3cccc(OC)c32)CC1.CCCCC1CCN(CCCn2cc(C(C)=O)c3cccc(Br)c32)CC1.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12
• InChI: InChI=1S/C33H35ClFN3O3.C28H36N2O2.C25H29ClN2O3.C25H29FN2O2.C22H31BrN2O/c1-40-31-8-3-7-29-30(33(39)36-20-22-5-2-6-23(34)17-22)21-37(32(29)31)15-4-16-38-25-11-12-26(38)19-28(18-25)41-27-13-9-24(35)10-14-27;1-3-4-10-22-15-19-29(20-16-22)17-9-18-30-21-25(28(31)23-11-6-5-7-12-23)24-13-8-14-26(32-2)27(24)30;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;1-18-5-3-6-23-24(19(2)29)17-28(25(18)23)14-4-13-27-15-11-22(12-16-27)30-21-9-7-20(26)8-10-21;1-3-4-7-18-10-14-24(15-11-18)12-6-13-25-16-20(17(2)26)19-8-5-9-21(23)22(19)25/h2-3,5-10,13-14,17,21,25-26,28H,4,11-12,15-16,18-20H2,1H3,(H,36,39);5-8,11-14,21-22H,3-4,9-10,15-20H2,1-2H3;3,5-10,17,21H,4,11-16H2,1-2H3;3,5-10,17,22H,4,11-16H2,1-2H3;5,8-9,16,18H,3-4,6-7,10-15H2,1-2H3
• InChIKey: NFWFUGWUUYDANM-UHFFFAOYSA-N
• XLogP: 29.57
• TPSA: 193.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 43
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2277.61
LogP ≤ 5	29.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone?

The IUPAC name of 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone (CID 159768961) is 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone.

What is the SMILES notation for 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone?

The canonical SMILES for 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2c(C)cccc12.CCCCC1CCN(CCCn2cc(C(=O)c3ccccc3)c3cccc(OC)c32)CC1.CCCCC1CCN(CCCn2cc(C(C)=O)c3cccc(Br)c32)CC1.COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12.

What is the InChIKey of 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone?

The InChIKey is NFWFUGWUUYDANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClFN3O3.C28H36N2O2.C25H29ClN2O3.C25H29FN2O2.C22H31BrN2O/c1-40-31-8-3-7-29-30(33(39)36-20-22-5-2-6-23(34)17-22)21-37(32(29)31)15-4-16-38-25-11-12-26(38)19-28(18-25)41-27-13-9-24(35)10-14-27;1-3-4-10-22-15-19-29(20-16-22)17-9-18-30-21-25(28(31)23-11-6-5-7-12-23)24-13-8-14-26(32-2)27(24)30;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;1-18-5-3-6-23-24(19(2)29)17-28(25(18)23)14-4-13-27-15-11-22(12-16-27)30-21-9-7-20(26)8-10-21;1-3-4-7-18-10-14-24(15-11-18)12-6-13-25-16-20(17(2)26)19-8-5-9-21(23)22(19)25/h2-3,5-10,13-14,17,21,25-26,28H,4,11-12,15-16,18-20H2,1H3,(H,36,39);5-8,11-14,21-22H,3-4,9-10,15-20H2,1-2H3;3,5-10,17,21H,4,11-16H2,1-2H3;3,5-10,17,22H,4,11-16H2,1-2H3;5,8-9,16,18H,3-4,6-7,10-15H2,1-2H3.

What are the key properties of 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone?

1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone has a molecular weight of 2277.61 g/mol, XLogP of 29.57, 43 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-bromo-1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;[1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone is sourced from PubChem (CID 159768961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).