1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

C152H185BrCl3F3N14O14 — CID 160863271

About 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 160863271) has the molecular formula C152H185BrCl3F3N14O14 and a molecular weight of 2675.49 g/mol. Its IUPAC name is 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
• PubChem CID: 160863271
• Molecular Formula: C152H185BrCl3F3N14O14
• Molecular Weight: 2675.49 g/mol
• Exact Mass: 2671.24
• IUPAC Name: 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccc(Br)cc12.CCCCC(=O)c1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccc(OC)cc12.CCCOC1CCN(CCCn2cc(C(C)=O)c3ccc(OC)cc32)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1C2CCC1CC(Oc1ccc(Cl)cc1)C2.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccccc2Cl)CC1.O=C(c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F
• InChI: InChI=1S/C29H39N3O2.C27H31ClN2O3.C25H30BrN3O.C25H29ClN2O3.C24H24ClF3N2O2.C22H32N2O3/c1-4-5-12-29(33)27-22-32(28-14-13-25(34-3)21-26(27)28)16-9-15-30-17-19-31(20-18-30)23(2)24-10-7-6-8-11-24;1-18(31)26-17-29(27-11-10-23(32-2)16-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-19(21-7-4-3-5-8-21)28-15-13-27(14-16-28)11-6-12-29-18-24(20(2)30)23-17-22(26)9-10-25(23)29;1-18(29)22-17-28(24-9-8-20(30-2)16-21(22)24)13-5-12-27-14-10-19(11-15-27)31-25-7-4-3-6-23(25)26;25-17-6-8-18(9-7-17)32-19-10-14-29(15-11-19)12-3-13-30-16-21(23(31)24(26,27)28)20-4-1-2-5-22(20)30;1-4-14-27-18-8-12-23(13-9-18)10-5-11-24-16-21(17(2)25)20-7-6-19(26-3)15-22(20)24/h6-8,10-11,13-14,21-23H,4-5,9,12,15-20H2,1-3H3;4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;3-5,7-10,17-19H,6,11-16H2,1-2H3;3-4,6-9,16-17,19H,5,10-15H2,1-2H3;1-2,4-9,16,19H,3,10-15H2;6-7,15-16,18H,4-5,8-14H2,1-3H3
• InChIKey: SKTQSFJMCJXUFH-UHFFFAOYSA-N
• XLogP: 32.68
• TPSA: 231.76 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 50
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2675.49
LogP ≤ 5	32.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (CID 160863271) is 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccc(Br)cc12.CCCCC(=O)c1cn(CCCN2CCN(C(C)c3ccccc3)CC2)c2ccc(OC)cc12.CCCOC1CCN(CCCn2cc(C(C)=O)c3ccc(OC)cc32)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1C2CCC1CC(Oc1ccc(Cl)cc1)C2.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccccc2Cl)CC1.O=C(c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F.

What is the InChIKey of 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The InChIKey is SKTQSFJMCJXUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2.C27H31ClN2O3.C25H30BrN3O.C25H29ClN2O3.C24H24ClF3N2O2.C22H32N2O3/c1-4-5-12-29(33)27-22-32(28-14-13-25(34-3)21-26(27)28)16-9-15-30-17-19-31(20-18-30)23(2)24-10-7-6-8-11-24;1-18(31)26-17-29(27-11-10-23(32-2)16-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-19(21-7-4-3-5-8-21)28-15-13-27(14-16-28)11-6-12-29-18-24(20(2)30)23-17-22(26)9-10-25(23)29;1-18(29)22-17-28(24-9-8-20(30-2)16-21(22)24)13-5-12-27-14-10-19(11-15-27)31-25-7-4-3-6-23(25)26;25-17-6-8-18(9-7-17)32-19-10-14-29(15-11-19)12-3-13-30-16-21(23(31)24(26,27)28)20-4-1-2-5-22(20)30;1-4-14-27-18-8-12-23(13-9-18)10-5-11-24-16-21(17(2)25)20-7-6-19(26-3)15-22(20)24/h6-8,10-11,13-14,21-23H,4-5,9,12,15-20H2,1-3H3;4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;3-5,7-10,17-19H,6,11-16H2,1-2H3;3-4,6-9,16-17,19H,5,10-15H2,1-2H3;1-2,4-9,16,19H,3,10-15H2;6-7,15-16,18H,4-5,8-14H2,1-3H3.

What are the key properties of 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone has a molecular weight of 2675.49 g/mol, XLogP of 32.68, 50 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 160863271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).