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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone

C147H180BrCl2F6N13O11 — CID 158707899

About 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone

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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone (PubChem CID 158707899) has the molecular formula C147H180BrCl2F6N13O11 and a molecular weight of 2569.93 g/mol. Its IUPAC name is 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone
• PubChem CID: 158707899
• Molecular Formula: C147H180BrCl2F6N13O11
• Molecular Weight: 2569.93 g/mol
• Exact Mass: 2566.24
• IUPAC Name: 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone
• SMILES: CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2cc(Br)ccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccccc12.CCCCC1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCN(C(C)c2ccccc2)CC1.COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3cccc(Cl)c32)CC1.O=C(c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12)C(F)(F)F
• InChI: InChI=1S/C26H29ClN2O2.C26H33N3O2.C25H29ClN2O2.C24H31BrN2O2.C24H29F3N2O2.C22H29F3N2O/c1-18(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;1-20(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;1-18(29)22-17-28(25-21(22)8-5-9-23(25)26)14-6-13-27-15-11-19(12-16-27)20-7-3-4-10-24(20)30-2;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;25-24(26,27)23(30)21-14-28(22-5-2-1-4-20(21)22)10-3-11-29-17-8-9-18(29)13-19(12-17)31-15-16-6-7-16;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/h2-3,5-8,11-12,17,20-21,23H,4,9-10,13-16H2,1H3;4-6,8-11,18-20H,7,12-17H2,1-3H3;3-5,7-10,17,19H,6,11-16H2,1-2H3;5,8,11,14,17,19-21H,2-4,6-7,9-10,12-13,15H2,1H3;1-2,4-5,14,16-19H,3,6-13,15H2;4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3
• InChIKey: IIIRJWYBRIWBRE-UHFFFAOYSA-N
• XLogP: 32.65
• TPSA: 200.83 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2569.93
LogP ≤ 5	32.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

The IUPAC name of 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone (CID 158707899) is 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone.

What is the SMILES notation for 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

The canonical SMILES for 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2cc(Br)ccc12.CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccccc12.CCCCC1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCN(C(C)c2ccccc2)CC1.COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3cccc(Cl)c32)CC1.O=C(c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12)C(F)(F)F.

What is the InChIKey of 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

The InChIKey is IIIRJWYBRIWBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O2.C26H33N3O2.C25H29ClN2O2.C24H31BrN2O2.C24H29F3N2O2.C22H29F3N2O/c1-18(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;1-20(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;1-18(29)22-17-28(25-21(22)8-5-9-23(25)26)14-6-13-27-15-11-19(12-16-27)20-7-3-4-10-24(20)30-2;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;25-24(26,27)23(30)21-14-28(22-5-2-1-4-20(21)22)10-3-11-29-17-8-9-18(29)13-19(12-17)31-15-16-6-7-16;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/h2-3,5-8,11-12,17,20-21,23H,4,9-10,13-16H2,1H3;4-6,8-11,18-20H,7,12-17H2,1-3H3;3-5,7-10,17,19H,6,11-16H2,1-2H3;5,8,11,14,17,19-21H,2-4,6-7,9-10,12-13,15H2,1H3;1-2,4-5,14,16-19H,3,6-13,15H2;4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3.

What are the key properties of 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone?

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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone has a molecular weight of 2569.93 g/mol, XLogP of 32.65, 46 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-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-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone is sourced from PubChem (CID 158707899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).