4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one

C24H24N2O5S — CID 25204715

IUPAC4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)c4ccccc4)CC3)cc2=O)cc1
InChIInChI=1S/C24H24N2O5S/c1-32(29,30)22-9-7-19(8-10-22)26-16-13-21(17-23(26)27)31-20-11-14-25(15-12-20)24(28)18-5-3-2-4-6-18/h2-10,13,16-17,20H,11-12,14-15H2,1H3
InChIKeyRBVPUXMBUYIDSR-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.92
Rot. Bonds5

About 4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one

4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one (PubChem CID 25204715) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is 4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one.

Molecular Properties

Compound Name4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
PubChem CID25204715
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)c4ccccc4)CC3)cc2=O)cc1
InChIInChI=1S/C24H24N2O5S/c1-32(29,30)22-9-7-19(8-10-22)26-16-13-21(17-23(26)27)31-20-11-14-25(15-12-20)24(28)18-5-3-2-4-6-18/h2-10,13,16-17,20H,11-12,14-15H2,1H3
InChIKeyRBVPUXMBUYIDSR-UHFFFAOYSA-N
XLogP2.92
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(3-methylbutanoyl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204781
N-cyclopentyl-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxamide
CID 25205058
4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 58458108
cyclohexa-1,5-dien-1-yl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 143747954
2-(2-chlorophenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67413426
4-[[1-(4-methoxyphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 57468346
4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204037
4-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 67367085
2-(4-tert-butylphenyl)-4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67414911
1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156319
4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-2-(4-propan-2-ylphenyl)piperidine-1-carboxylic acid
CID 67415567
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-phenylmethanone
CID 4604357

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The IUPAC name of 4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one (CID 25204715) is 4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one.
What is the SMILES notation for 4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The canonical SMILES for 4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one is CS(=O)(=O)c1ccc(-n2ccc(OC3CCN(C(=O)c4ccccc4)CC3)cc2=O)cc1.
What is the InChIKey of 4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The InChIKey is RBVPUXMBUYIDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-32(29,30)22-9-7-19(8-10-22)26-16-13-21(17-23(26)27)31-20-11-14-25(15-12-20)24(28)18-5-3-2-4-6-18/h2-10,13,16-17,20H,11-12,14-15H2,1H3.
What are the key properties of 4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one has a molecular weight of 452.53 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one is sourced from PubChem (CID 25204715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).