1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone

C75H84Cl3F3N6O6 — CID 159342762

IUPAC1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
SMILESCC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.O=C(c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C27H33ClN2O2.C24H24ClF3N2O2.C24H27ClN2O2/c1-20(2)18-26(31)23-19-30(25-10-5-3-8-22(23)25)15-7-14-29-16-12-21(13-17-29)32-27-11-6-4-9-24(27)28;25-20-7-2-4-9-22(20)32-17-10-14-29(15-11-17)12-5-13-30-16-19(23(31)24(26,27)28)18-6-1-3-8-21(18)30;1-18(28)21-17-27(23-9-4-2-7-20(21)23)14-6-13-26-15-11-19(12-16-26)29-24-10-5-3-8-22(24)25/h3-6,8-11,19-21H,7,12-18H2,1-2H3;1-4,6-9,16-17H,5,10-15H2;2-5,7-10,17,19H,6,11-16H2,1H3
InChIKeyLGIJVCHQTFVVBM-UHFFFAOYSA-N
MW1328.89 g/mol
LogP17.86
Rot. Bonds23

About 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone

1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone (PubChem CID 159342762) has the molecular formula C75H84Cl3F3N6O6 and a molecular weight of 1328.89 g/mol. Its IUPAC name is 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
PubChem CID159342762
Molecular FormulaC75H84Cl3F3N6O6
Molecular Weight1328.89 g/mol
Exact Mass1326.55
IUPAC Name1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
SMILESCC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.O=C(c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C27H33ClN2O2.C24H24ClF3N2O2.C24H27ClN2O2/c1-20(2)18-26(31)23-19-30(25-10-5-3-8-22(23)25)15-7-14-29-16-12-21(13-17-29)32-27-11-6-4-9-24(27)28;25-20-7-2-4-9-22(20)32-17-10-14-29(15-11-17)12-5-13-30-16-19(23(31)24(26,27)28)18-6-1-3-8-21(18)30;1-18(28)21-17-27(23-9-4-2-7-20(21)23)14-6-13-26-15-11-19(12-16-26)29-24-10-5-3-8-22(24)25/h3-6,8-11,19-21H,7,12-18H2,1-2H3;1-4,6-9,16-17H,5,10-15H2;2-5,7-10,17,19H,6,11-16H2,1H3
InChIKeyLGIJVCHQTFVVBM-UHFFFAOYSA-N
XLogP17.86
TPSA103.41 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001328.89
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

1-{1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}-2,2,2-trifluoroethanone
CID 2056641
1-{1-[3-(2-chlorophenoxy)propyl]-1H-indol-3-yl}-2,2,2-trifluoroethanone
CID 2056645
1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 23641726
1-[1-[3-[4-(2-Chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 23641730
1-[1-[3-[3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 58967734
acetonitrile;2-chloro-1-(5-chloro-1H-indol-3-yl)ethanone;1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;3-[[4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158302874
acetonitrile;2-chloro-1-(5-chloro-1H-indol-3-yl)ethanone;1-(5-chloro-1H-indol-3-yl)-2-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone;methane;3-[[4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158953093
1-[1-[3-[3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;2,2,2-trifluoro-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 159056474
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
1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 159658562
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 159766192
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[4-[4-(1-phenylethyl)piperazin-1-yl]butyl]indol-3-yl]ethanone;4-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-2-one
CID 159861540

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone (CID 159342762) is 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone is CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12.O=C(c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is LGIJVCHQTFVVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN2O2.C24H24ClF3N2O2.C24H27ClN2O2/c1-20(2)18-26(31)23-19-30(25-10-5-3-8-22(23)25)15-7-14-29-16-12-21(13-17-29)32-27-11-6-4-9-24(27)28;25-20-7-2-4-9-22(20)32-17-10-14-29(15-11-17)12-5-13-30-16-19(23(31)24(26,27)28)18-6-1-3-8-21(18)30;1-18(28)21-17-27(23-9-4-2-7-20(21)23)14-6-13-26-15-11-19(12-16-26)29-24-10-5-3-8-22(24)25/h3-6,8-11,19-21H,7,12-18H2,1-2H3;1-4,6-9,16-17H,5,10-15H2;2-5,7-10,17,19H,6,11-16H2,1H3.
What are the key properties of 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone?
1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 1328.89 g/mol, XLogP of 17.86, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 159342762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).