1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one

C25H25NO4S — CID 101169796

IUPAC1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one
SMILESCc1ccc(S(=O)(=O)C2C(=O)N(Cc3ccccc3)C(O)CC2c2ccccc2)cc1
InChIInChI=1S/C25H25NO4S/c1-18-12-14-21(15-13-18)31(29,30)24-22(20-10-6-3-7-11-20)16-23(27)26(25(24)28)17-19-8-4-2-5-9-19/h2-15,22-24,27H,16-17H2,1H3
InChIKeyCQXKLJQMAAZIIH-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.67
Rot. Bonds5

About 1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one

1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one (PubChem CID 101169796) has the molecular formula C25H25NO4S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one.

Molecular Properties

Compound Name1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one
PubChem CID101169796
Molecular FormulaC25H25NO4S
Molecular Weight435.55 g/mol
Exact Mass435.15
IUPAC Name1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one
SMILESCc1ccc(S(=O)(=O)C2C(=O)N(Cc3ccccc3)C(O)CC2c2ccccc2)cc1
InChIInChI=1S/C25H25NO4S/c1-18-12-14-21(15-13-18)31(29,30)24-22(20-10-6-3-7-11-20)16-23(27)26(25(24)28)17-19-8-4-2-5-9-19/h2-15,22-24,27H,16-17H2,1H3
InChIKeyCQXKLJQMAAZIIH-UHFFFAOYSA-N
XLogP3.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-4-phenylazetidin-2-one
CID 102439574
ethyl (2S,3S,4S)-1-benzyl-4-(4-methylphenyl)sulfonyl-5-oxo-3-(phenylmethoxymethyl)pyrrolidine-2-carboxylate
CID 11785734
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
(2S)-1-benzyl-4-hydroxy-3-(4-methylphenyl)sulfonyl-2-phenyl-2H-pyrrol-5-one
CID 95052540
1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione
CID 11225131
(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
CID 155164341
1-benzyl-4-methylpiperidine-2-carboxylic acid;4-methylbenzenesulfonic acid
CID 86735354
(3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one
CID 11199116
[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
CID 10383848
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
(4R,5S)-4-benzyl-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 15463005
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one?
The IUPAC name of 1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one (CID 101169796) is 1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one.
What is the SMILES notation for 1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one?
The canonical SMILES for 1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one is Cc1ccc(S(=O)(=O)C2C(=O)N(Cc3ccccc3)C(O)CC2c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one?
The InChIKey is CQXKLJQMAAZIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4S/c1-18-12-14-21(15-13-18)31(29,30)24-22(20-10-6-3-7-11-20)16-23(27)26(25(24)28)17-19-8-4-2-5-9-19/h2-15,22-24,27H,16-17H2,1H3.
What are the key properties of 1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one?
1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one has a molecular weight of 435.55 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydroxy-3-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-one is sourced from PubChem (CID 101169796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).