1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one

C148H188BrF6N13O11 — CID 159320636

About 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one (PubChem CID 159320636) has the molecular formula C148H188BrF6N13O11 and a molecular weight of 2519.10 g/mol. Its IUPAC name is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one.

Molecular Properties

• Compound Name: 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one
• PubChem CID: 159320636
• Molecular Formula: C148H188BrF6N13O11
• Molecular Weight: 2519.10 g/mol
• Exact Mass: 2516.36
• IUPAC Name: 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2cc(Br)ccc12.CCCCC1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.CCCCC1CCN(CCCn2cc(C(C)=O)c3ccc(OC)cc32)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCN(C(C)c2ccccc2)CC1.COc1ccccc1C1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.O=C(c1ccccc1)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1
• InChI: InChI=1S/C28H36N2O2.C26H33N3O2.C25H25F3N2O2.C24H31BrN2O2.C23H34N2O2.C22H29F3N2O/c1-21(2)19-27(31)25-20-30(26-11-6-4-10-24(25)26)16-8-15-29-17-13-22(14-18-29)23-9-5-7-12-28(23)32-3;1-20(22-8-5-4-6-9-22)28-16-14-27(15-17-28)12-7-13-29-19-25(21(2)30)24-18-23(31-3)10-11-26(24)29;26-25(27,28)24(32)21-17-30(22-10-5-4-9-20(21)22)14-6-13-29-15-11-19(12-16-29)23(31)18-7-2-1-3-8-18;1-16(28)23-14-26(24-11-18(25)5-8-22(23)24)9-2-10-27-19-6-7-20(27)13-21(12-19)29-15-17-3-4-17;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-9-8-20(27-3)16-23(21)25;1-2-3-7-17-10-14-26(15-11-17)12-6-13-27-16-19(21(28)22(23,24)25)18-8-4-5-9-20(18)27/h4-7,9-12,20-22H,8,13-19H2,1-3H3;4-6,8-11,18-20H,7,12-17H2,1-3H3;1-5,7-10,17,19H,6,11-16H2;5,8,11,14,17,19-21H,2-4,6-7,9-10,12-13,15H2,1H3;8-9,16-17,19H,4-7,10-15H2,1-3H3;4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3
• InChIKey: LDSHDIMYAYGBNR-UHFFFAOYSA-N
• XLogP: 32.38
• TPSA: 208.67 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 49
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2519.10
LogP ≤ 5	32.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one (CID 159320636) is 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one.

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

The canonical SMILES for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one is CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2cc(Br)ccc12.CCCCC1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.CCCCC1CCN(CCCn2cc(C(C)=O)c3ccc(OC)cc32)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCN(C(C)c2ccccc2)CC1.COc1ccccc1C1CCN(CCCn2cc(C(=O)CC(C)C)c3ccccc32)CC1.O=C(c1ccccc1)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.

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

The InChIKey is LDSHDIMYAYGBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2.C26H33N3O2.C25H25F3N2O2.C24H31BrN2O2.C23H34N2O2.C22H29F3N2O/c1-21(2)19-27(31)25-20-30(26-11-6-4-10-24(25)26)16-8-15-29-17-13-22(14-18-29)23-9-5-7-12-28(23)32-3;1-20(22-8-5-4-6-9-22)28-16-14-27(15-17-28)12-7-13-29-19-25(21(2)30)24-18-23(31-3)10-11-26(24)29;26-25(27,28)24(32)21-17-30(22-10-5-4-9-20(21)22)14-6-13-29-15-11-19(12-16-29)23(31)18-7-2-1-3-8-18;1-16(28)23-14-26(24-11-18(25)5-8-22(23)24)9-2-10-27-19-6-7-20(27)13-21(12-19)29-15-17-3-4-17;1-4-5-7-19-10-14-24(15-11-19)12-6-13-25-17-22(18(2)26)21-9-8-20(27-3)16-23(21)25;1-2-3-7-17-10-14-26(15-11-17)12-6-13-27-16-19(21(28)22(23,24)25)18-8-4-5-9-20(18)27/h4-7,9-12,20-22H,8,13-19H2,1-3H3;4-6,8-11,18-20H,7,12-17H2,1-3H3;1-5,7-10,17,19H,6,11-16H2;5,8,11,14,17,19-21H,2-4,6-7,9-10,12-13,15H2,1H3;8-9,16-17,19H,4-7,10-15H2,1-3H3;4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3.

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

1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one has a molecular weight of 2519.10 g/mol, XLogP of 32.38, 49 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[6-bromo-1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one is sourced from PubChem (CID 159320636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).