[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone

C18H20N2O3S — CID 74242283

IUPAC[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCS(=O)(=O)c1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H20N2O3S/c1-24(22,23)15-9-7-14(8-10-15)17-16(6-5-11-19-17)18(21)20-12-3-2-4-13-20/h5-11H,2-4,12-13H2,1H3
InChIKeyKWLCYKYDCCRKOB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.78
Rot. Bonds3

About [2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone

[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 74242283) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is [2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID74242283
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCS(=O)(=O)c1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H20N2O3S/c1-24(22,23)15-9-7-14(8-10-15)17-16(6-5-11-19-17)18(21)20-12-3-2-4-13-20/h5-11H,2-4,12-13H2,1H3
InChIKeyKWLCYKYDCCRKOB-UHFFFAOYSA-N
XLogP2.78
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74240099
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56884668
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
[4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepan-1-yl]-(2-phenyl-3-pyridinyl)methanone
CID 118174797
N-(2-methoxyethyl)-1-[2-(4-methylphenyl)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 50832472
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 74244180
[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165
N-[1-[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 135110737
2-(piperidine-1-carbonyl)phenolate
CID 101121314
[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74249651
1-[4-[2-(1,3-thiazol-5-yl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 110111120

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 74242283) is [2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone is CS(=O)(=O)c1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of [2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is KWLCYKYDCCRKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-24(22,23)15-9-7-14(8-10-15)17-16(6-5-11-19-17)18(21)20-12-3-2-4-13-20/h5-11H,2-4,12-13H2,1H3.
What are the key properties of [2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone?
[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 344.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 74242283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).