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

C75H84Cl3F3N6O7 — CID 159658562

IUPAC1-[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
SMILESCC(=O)c1cn(CC(O)CN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12.O=C(c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C27H33ClN2O2.C24H24ClF3N2O2.C24H27ClN2O3/c1-20(2)18-27(31)25-19-30(26-7-4-3-6-24(25)26)15-5-14-29-16-12-23(13-17-29)32-22-10-8-21(28)9-11-22;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;1-17(28)23-16-27(24-5-3-2-4-22(23)24)15-19(29)14-26-12-10-21(11-13-26)30-20-8-6-18(25)7-9-20/h3-4,6-11,19-20,23H,5,12-18H2,1-2H3;1-2,4-9,16,19H,3,10-15H2;2-9,16,19,21,29H,10-15H2,1H3
InChIKeyMSMKWRQSJHRTAJ-UHFFFAOYSA-N
MW1344.88 g/mol
LogP16.83
Rot. Bonds23

About 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

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 (PubChem CID 159658562) has the molecular formula C75H84Cl3F3N6O7 and a molecular weight of 1344.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159658562
Molecular FormulaC75H84Cl3F3N6O7
Molecular Weight1344.88 g/mol
Exact Mass1342.54
IUPAC Name1-[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
SMILESCC(=O)c1cn(CC(O)CN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12.O=C(c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C27H33ClN2O2.C24H24ClF3N2O2.C24H27ClN2O3/c1-20(2)18-27(31)25-19-30(26-7-4-3-6-24(25)26)15-5-14-29-16-12-23(13-17-29)32-22-10-8-21(28)9-11-22;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;1-17(28)23-16-27(24-5-3-2-4-22(23)24)15-19(29)14-26-12-10-21(11-13-26)30-20-8-6-18(25)7-9-20/h3-4,6-11,19-20,23H,5,12-18H2,1-2H3;1-2,4-9,16,19H,3,10-15H2;2-9,16,19,21,29H,10-15H2,1H3
InChIKeyMSMKWRQSJHRTAJ-UHFFFAOYSA-N
XLogP16.83
TPSA123.64 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001344.88
LogP ≤ 516.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 23641726
1-[1-[3-[3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 58967734
CID 157894446
CID 157894446
CID 158748665
CID 158748665
5-Chloro-2-[[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylic acid;methyl 5-chloro-2-[[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]indol-5-yl]methyl]pyridine-3-carboxylate
CID 158911464
1-[1-[3-(4-Benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-benzylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one;1-[6-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone
CID 158927298
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-(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
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-(2-Chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone
CID 160482431
1-[1-[3-(4-Benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-benzylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone
CID 160723336

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cn(CC(O)CN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12.O=C(c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is MSMKWRQSJHRTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN2O2.C24H24ClF3N2O2.C24H27ClN2O3/c1-20(2)18-27(31)25-19-30(26-7-4-3-6-24(25)26)15-5-14-29-16-12-23(13-17-29)32-22-10-8-21(28)9-11-22;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;1-17(28)23-16-27(24-5-3-2-4-22(23)24)15-19(29)14-26-12-10-21(11-13-26)30-20-8-6-18(25)7-9-20/h3-4,6-11,19-20,23H,5,12-18H2,1-2H3;1-2,4-9,16,19H,3,10-15H2;2-9,16,19,21,29H,10-15H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1344.88 g/mol, XLogP of 16.83, 23 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159658562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).