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

C62H65F8N9O5S — CID 159121753

IUPAC3-(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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3c(F)cc(F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(C#N)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C16H17F3N2O.C16H17N3O.C15H17F3N2O2S.C15H14F2N2O/c1-10(22)21-6-4-11(5-7-21)14-9-20-15-8-12(16(17,18)19)2-3-13(14)15;1-11(20)19-6-4-13(5-7-19)15-10-18-16-3-2-12(9-17)8-14(15)16;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-8-11(15(16,17)18)2-3-12(13)14;1-9(20)19-4-2-10(3-5-19)13-8-18-15-12(13)6-11(16)7-14(15)17/h2-3,8-9,11,20H,4-7H2,1H3;2-3,8,10,13,18H,4-7H2,1H3;2-3,8-10,19H,4-7H2,1H3;2,6-8,18H,3-5H2,1H3
InChIKeyKFTWMGZKNARBLS-UHFFFAOYSA-N
MW1200.31 g/mol
LogP13.09
Rot. Bonds5

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

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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone (PubChem CID 159121753) has the molecular formula C62H65F8N9O5S and a molecular weight of 1200.31 g/mol. Its IUPAC name is 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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name3-(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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
PubChem CID159121753
Molecular FormulaC62H65F8N9O5S
Molecular Weight1200.31 g/mol
Exact Mass1199.47
IUPAC Name3-(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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3c(F)cc(F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(C#N)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C16H17F3N2O.C16H17N3O.C15H17F3N2O2S.C15H14F2N2O/c1-10(22)21-6-4-11(5-7-21)14-9-20-15-8-12(16(17,18)19)2-3-13(14)15;1-11(20)19-6-4-13(5-7-19)15-10-18-16-3-2-12(9-17)8-14(15)16;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-8-11(15(16,17)18)2-3-12(13)14;1-9(20)19-4-2-10(3-5-19)13-8-18-15-12(13)6-11(16)7-14(15)17/h2-3,8-9,11,20H,4-7H2,1H3;2-3,8,10,13,18H,4-7H2,1H3;2-3,8-10,19H,4-7H2,1H3;2,6-8,18H,3-5H2,1H3
InChIKeyKFTWMGZKNARBLS-UHFFFAOYSA-N
XLogP13.09
TPSA185.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001200.31
LogP ≤ 513.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(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
3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;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)-6-(trifluoromethyl)-1H-indole
CID 157160134
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
6-fluoro-3-[4-(trifluoromethylsulfonyl)piperazin-1-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;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157312238
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-(6-tert-butylspiro[2H-indole-3,1'-cyclopropane]-1-yl)ethanone;6-tert-butyl-2-(trifluoromethyl)-1H-indole;6-tert-butyl-3-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-5-(trifluoromethyl)-1H-indole
CID 158403148
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
3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 159013029
1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 159067168
6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159134273
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

Frequently Asked Questions

What is the IUPAC name of 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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone (CID 159121753) is 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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3c(F)cc(F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(C#N)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is KFTWMGZKNARBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O.C16H17N3O.C15H17F3N2O2S.C15H14F2N2O/c1-10(22)21-6-4-11(5-7-21)14-9-20-15-8-12(16(17,18)19)2-3-13(14)15;1-11(20)19-6-4-13(5-7-19)15-10-18-16-3-2-12(9-17)8-14(15)16;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-8-11(15(16,17)18)2-3-12(13)14;1-9(20)19-4-2-10(3-5-19)13-8-18-15-12(13)6-11(16)7-14(15)17/h2-3,8-9,11,20H,4-7H2,1H3;2-3,8,10,13,18H,4-7H2,1H3;2-3,8-10,19H,4-7H2,1H3;2,6-8,18H,3-5H2,1H3.
What are the key properties of 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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?
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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 1200.31 g/mol, XLogP of 13.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 159121753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).