6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone

C63H76ClF6N9O7S3 — CID 159992631

IUPAC6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CS(=O)(=O)CCC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(C3CC3)cc3[nH]ccc23)CC1
InChIInChI=1S/C16H21ClN2O2S.C16H17F3N2O.C16H21N3O2S.C15H17F3N2O2S/c1-22(20,21)9-5-12-3-7-19(8-4-12)16-11-13(17)10-15-14(16)2-6-18-15;1-10(22)21-6-3-11(4-7-21)14-8-12(16(17,18)19)9-15-13(14)2-5-20-15;1-22(20,21)19-8-6-18(7-9-19)16-11-13(12-2-3-12)10-15-14(16)4-5-17-15;1-23(21,22)20-6-3-10(4-7-20)13-8-11(15(16,17)18)9-14-12(13)2-5-19-14/h2,6,10-12,18H,3-5,7-9H2,1H3;2,5,8-9,11,20H,3-4,6-7H2,1H3;4-5,10-12,17H,2-3,6-9H2,1H3;2,5,8-10,19H,3-4,6-7H2,1H3
InChIKeyOHDIWITYALUFHC-UHFFFAOYSA-N
MW1317.00 g/mol
LogP12.84
Rot. Bonds10

About 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone

6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone (PubChem CID 159992631) has the molecular formula C63H76ClF6N9O7S3 and a molecular weight of 1317.00 g/mol. Its IUPAC name is 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
PubChem CID159992631
Molecular FormulaC63H76ClF6N9O7S3
Molecular Weight1317.00 g/mol
Exact Mass1315.46
IUPAC Name6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CS(=O)(=O)CCC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(C3CC3)cc3[nH]ccc23)CC1
InChIInChI=1S/C16H21ClN2O2S.C16H17F3N2O.C16H21N3O2S.C15H17F3N2O2S/c1-22(20,21)9-5-12-3-7-19(8-4-12)16-11-13(17)10-15-14(16)2-6-18-15;1-10(22)21-6-3-11(4-7-21)14-8-12(16(17,18)19)9-15-13(14)2-5-20-15;1-22(20,21)19-8-6-18(7-9-19)16-11-13(12-2-3-12)10-15-14(16)4-5-17-15;1-23(21,22)20-6-3-10(4-7-20)13-8-11(15(16,17)18)9-14-12(13)2-5-19-14/h2,6,10-12,18H,3-5,7-9H2,1H3;2,5,8-9,11,20H,3-4,6-7H2,1H3;4-5,10-12,17H,2-3,6-9H2,1H3;2,5,8-10,19H,3-4,6-7H2,1H3
InChIKeyOHDIWITYALUFHC-UHFFFAOYSA-N
XLogP12.84
TPSA198.85 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001317.00
LogP ≤ 512.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;6-chloro-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 157336861
6-chloro-4-(1-cyclopropylsulfonylpiperidin-4-yl)-1H-indole;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-1H-indole;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]-2,3-dihydroquinoxaline;8-[6-(trifluoromethyl)-1H-indol-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 157802581
6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 157897359
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
1-[4-(6-bromo-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 159148457
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
6-chloro-4-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159576939
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;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-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159664997
N-[2-(6-chloro-1H-indol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;1-(6-chloro-1H-indol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 159770354
6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 160141447
6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 160327583

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone (CID 159992631) is 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CS(=O)(=O)CCC1CCN(c2cc(Cl)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CS(=O)(=O)N1CCN(c2cc(C3CC3)cc3[nH]ccc23)CC1.
What is the InChIKey of 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone?
The InChIKey is OHDIWITYALUFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S.C16H17F3N2O.C16H21N3O2S.C15H17F3N2O2S/c1-22(20,21)9-5-12-3-7-19(8-4-12)16-11-13(17)10-15-14(16)2-6-18-15;1-10(22)21-6-3-11(4-7-21)14-8-12(16(17,18)19)9-15-13(14)2-5-20-15;1-22(20,21)19-8-6-18(7-9-19)16-11-13(12-2-3-12)10-15-14(16)4-5-17-15;1-23(21,22)20-6-3-10(4-7-20)13-8-11(15(16,17)18)9-14-12(13)2-5-19-14/h2,6,10-12,18H,3-5,7-9H2,1H3;2,5,8-9,11,20H,3-4,6-7H2,1H3;4-5,10-12,17H,2-3,6-9H2,1H3;2,5,8-10,19H,3-4,6-7H2,1H3.
What are the key properties of 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone?
6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 1317.00 g/mol, XLogP of 12.84, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 159992631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).