1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone

C72H91ClF3N5O6 — CID 159131309

About 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-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]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 159131309) has the molecular formula C72H91ClF3N5O6 and a molecular weight of 1215.00 g/mol. Its IUPAC name is 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-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]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
• PubChem CID: 159131309
• Molecular Formula: C72H91ClF3N5O6
• Molecular Weight: 1215.00 g/mol
• Exact Mass: 1213.66
• IUPAC Name: 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
• SMILES: CCCOC1CCN(CC(C)Cn2cc(C(C)=O)c3ccccc32)CC1.COCCC1CC2CCC(C1)C2CCCn1cc(C(C)=O)c2ccccc21.O=C(c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccccc12)C(F)(F)F
• InChI: InChI=1S/C26H26ClF3N2O2.C24H33NO2.C22H32N2O2/c27-17-6-10-20(11-7-17)34-21-14-18-8-9-19(15-21)32(18)13-3-12-31-16-23(25(33)26(28,29)30)22-4-1-2-5-24(22)31;1-17(26)23-16-25(24-8-4-3-6-22(23)24)12-5-7-21-19-9-10-20(21)15-18(14-19)11-13-27-2;1-4-13-26-19-9-11-23(12-10-19)14-17(2)15-24-16-21(18(3)25)20-7-5-6-8-22(20)24/h1-2,4-7,10-11,16,18-19,21H,3,8-9,12-15H2;3-4,6,8,16,18-21H,5,7,9-15H2,1-2H3;5-8,16-17,19H,4,9-15H2,1-3H3
• InChIKey: KGXVKBMZJAZOPW-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 100.17 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 23
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1215.00
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-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]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (CID 159131309) is 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-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]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-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]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is CCCOC1CCN(CC(C)Cn2cc(C(C)=O)c3ccccc32)CC1.COCCC1CC2CCC(C1)C2CCCn1cc(C(C)=O)c2ccccc21.O=C(c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccccc12)C(F)(F)F.

What is the InChIKey of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone?

The InChIKey is KGXVKBMZJAZOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N2O2.C24H33NO2.C22H32N2O2/c27-17-6-10-20(11-7-17)34-21-14-18-8-9-19(15-21)32(18)13-3-12-31-16-23(25(33)26(28,29)30)22-4-1-2-5-24(22)31;1-17(26)23-16-25(24-8-4-3-6-22(23)24)12-5-7-21-19-9-10-20(21)15-18(14-19)11-13-27-2;1-4-13-26-19-9-11-23(12-10-19)14-17(2)15-24-16-21(18(3)25)20-7-5-6-8-22(20)24/h1-2,4-7,10-11,16,18-19,21H,3,8-9,12-15H2;3-4,6,8,16,18-21H,5,7,9-15H2,1-2H3;5-8,16-17,19H,4,9-15H2,1-3H3.

What are the key properties of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-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]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone has a molecular weight of 1215.00 g/mol, XLogP of 16.59, 23 rotatable bonds, 0 hydrogen bond donors, and 11 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]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 159131309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).