1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone

C75H84Cl3F7N10O7S2 — CID 159071231

IUPAC1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2c[nH]c3cc(Cl)c(F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C16H17F3N2O.C15H16ClFN2O.C15H17ClN2O.C15H17F3N2O2S.C14H17ClN2O2S/c1-10(22)21-6-4-11(5-7-21)14-9-20-15-3-2-12(8-13(14)15)16(17,18)19;1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-13(16)14(17)6-11(12)15;1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-3-2-11(8-12(13)14)15(16,17)18;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-9,11,20H,4-7H2,1H3;6-8,10,18H,2-5H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;2-3,8-10,19H,4-7H2,1H3;2-3,8-10,16H,4-7H2,1H3
InChIKeyJZRCIPIQSGABFP-UHFFFAOYSA-N
MW1541.04 g/mol
LogP17.43
Rot. Bonds7

About 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone

1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone (PubChem CID 159071231) has the molecular formula C75H84Cl3F7N10O7S2 and a molecular weight of 1541.04 g/mol. Its IUPAC name is 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
PubChem CID159071231
Molecular FormulaC75H84Cl3F7N10O7S2
Molecular Weight1541.04 g/mol
Exact Mass1538.49
IUPAC Name1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2c[nH]c3cc(Cl)c(F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C16H17F3N2O.C15H16ClFN2O.C15H17ClN2O.C15H17F3N2O2S.C14H17ClN2O2S/c1-10(22)21-6-4-11(5-7-21)14-9-20-15-3-2-12(8-13(14)15)16(17,18)19;1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-13(16)14(17)6-11(12)15;1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-3-2-11(8-12(13)14)15(16,17)18;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-9,11,20H,4-7H2,1H3;6-8,10,18H,2-5H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;2-3,8-10,19H,4-7H2,1H3;2-3,8-10,16H,4-7H2,1H3
InChIKeyJZRCIPIQSGABFP-UHFFFAOYSA-N
XLogP17.43
TPSA214.64 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001541.04
LogP ≤ 517.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 157101493
[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;methyl-methylidene-oxo-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-lambda6-sulfane
CID 157136724
3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 157195300
3-(1-acetylpiperidin-4-yl)-1H-indole-5-carbonitrile;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 157371327
6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indol-3-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157598311
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 158002065
3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 158300257
3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole
CID 158598530
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;6-chloro-5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;6-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159222337
4-(6-chloro-1H-indol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole
CID 159274634
3-(1-acetylpiperidin-4-yl)-1H-indole-5-carbonitrile;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159436815
[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;[4-(7-chloro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;3-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile;methyl-methylidene-oxo-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-lambda6-sulfane;methyl-methylidene-oxo-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-lambda6-sulfane
CID 159505271

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone (CID 159071231) is 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2c[nH]c3cc(Cl)c(F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is JZRCIPIQSGABFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O.C15H16ClFN2O.C15H17ClN2O.C15H17F3N2O2S.C14H17ClN2O2S/c1-10(22)21-6-4-11(5-7-21)14-9-20-15-3-2-12(8-13(14)15)16(17,18)19;1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-13(16)14(17)6-11(12)15;1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-3-2-11(8-12(13)14)15(16,17)18;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-3,8-9,11,20H,4-7H2,1H3;6-8,10,18H,2-5H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;2-3,8-10,19H,4-7H2,1H3;2-3,8-10,16H,4-7H2,1H3.
What are the key properties of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 1541.04 g/mol, XLogP of 17.43, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]ethanone;5-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 159071231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).