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

C89H101Cl2F8N13O10S4 — CID 157101493

IUPAC3-(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
SMILESCC(=O)N1CCC(c2c[nH]c3cc(C#N)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3c(Cl)cccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(F)c(F)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.C16H17N3O.C15H17F3N2O2S.2C14H17ClN2O2S.C14H16F2N2O2S/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;1-11(20)19-6-4-13(5-7-19)15-10-18-16-8-12(9-17)2-3-14(15)16;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;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14/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;2-3,8-10,16H,4-7H2,1H3;2-4,9-10,16H,5-8H2,1H3;6-9,17H,2-5H2,1H3
InChIKeyAFUVCALECRPWDB-UHFFFAOYSA-N
MW1864.03 g/mol
LogP18.51
Rot. Bonds10

About 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

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 (PubChem CID 157101493) has the molecular formula C89H101Cl2F8N13O10S4 and a molecular weight of 1864.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID157101493
Molecular FormulaC89H101Cl2F8N13O10S4
Molecular Weight1864.03 g/mol
Exact Mass1861.59
IUPAC Name3-(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
SMILESCC(=O)N1CCC(c2c[nH]c3cc(C#N)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3c(Cl)cccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(F)c(F)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.C16H17N3O.C15H17F3N2O2S.2C14H17ClN2O2S.C14H16F2N2O2S/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;1-11(20)19-6-4-13(5-7-19)15-10-18-16-8-12(9-17)2-3-14(15)16;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;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14/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;2-3,8-10,16H,4-7H2,1H3;2-4,9-10,16H,5-8H2,1H3;6-9,17H,2-5H2,1H3
InChIKeyAFUVCALECRPWDB-UHFFFAOYSA-N
XLogP18.51
TPSA308.67 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001864.03
LogP ≤ 518.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

[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-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
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
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;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
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
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(c2c[nH]c3cc(C#N)ccc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3c(Cl)cccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(F)c(F)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 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?
The InChIKey is AFUVCALECRPWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O.C16H17N3O.C15H17F3N2O2S.2C14H17ClN2O2S.C14H16F2N2O2S/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;1-11(20)19-6-4-13(5-7-19)15-10-18-16-8-12(9-17)2-3-14(15)16;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;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14/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;2-3,8-10,16H,4-7H2,1H3;2-4,9-10,16H,5-8H2,1H3;6-9,17H,2-5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1864.03 g/mol, XLogP of 18.51, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157101493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).