4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one

C18H22N2O3S — CID 138385114

IUPAC4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cc[nH]c(=O)c3)CC2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-13-3-4-17(11-14(13)2)24(22,23)20-9-6-15(7-10-20)16-5-8-19-18(21)12-16/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H,19,21)
InChIKeyQXCNOTSHCKLVDI-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.56
Rot. Bonds3

About 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one

4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138385114) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one
PubChem CID138385114
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cc[nH]c(=O)c3)CC2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-13-3-4-17(11-14(13)2)24(22,23)20-9-6-15(7-10-20)16-5-8-19-18(21)12-16/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H,19,21)
InChIKeyQXCNOTSHCKLVDI-UHFFFAOYSA-N
XLogP2.56
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083123
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004
3-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-fluoro-1H-indole
CID 113087436
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide
CID 32905464
1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine
CID 60819969
1-(3,4-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941465
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one (CID 138385114) is 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one is Cc1ccc(S(=O)(=O)N2CCC(c3cc[nH]c(=O)c3)CC2)cc1C.
What is the InChIKey of 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is QXCNOTSHCKLVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-3-4-17(11-14(13)2)24(22,23)20-9-6-15(7-10-20)16-5-8-19-18(21)12-16/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H,19,21).
What are the key properties of 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one?
4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 346.45 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138385114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).