(4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one

C20H19NO2 — CID 7160001

IUPAC(4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one
SMILESCC(=O)C1=CN(Cc2ccccc2)C(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO2/c1-15(22)19-14-21(13-16-8-4-2-5-9-16)20(23)12-18(19)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3/t18-/m1/s1
InChIKeyBRXXDFBJQKCILZ-GOSISDBHSA-N
MW305.38 g/mol
LogP3.68
Rot. Bonds4

About (4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one

(4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one (PubChem CID 7160001) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name(4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one
PubChem CID7160001
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one
SMILESCC(=O)C1=CN(Cc2ccccc2)C(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO2/c1-15(22)19-14-21(13-16-8-4-2-5-9-16)20(23)12-18(19)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3/t18-/m1/s1
InChIKeyBRXXDFBJQKCILZ-GOSISDBHSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 755990
[1-(4-Methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
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CID 3708751
N-benzyl-N-methyl-3-phenylpropanamide
CID 670103
5,6-dioxo-11H-inden o[1,2-c]isoquinoline
CID 11256032
[4-(3,5-Dimethylpiperidine-1-carbonyl)phenyl]-phenylmethanone
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4-acetyl-2-methylisoquinolin-1(2H)-one
CID 872951
3-(3,4-Dioxo-1-phenyl-3,4-dihydro-naphthalen-2-yl)-N,N-diethyl-propionamide
CID 44301182
1-benzyl-3-(cyclohexylmethyl)-2-methylpyridin-4(1H)-one
CID 44422548
N-(2,2-diphenylethyl)-N-ethyl-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 164609644
1-(4-Benzoylpiperazin-1-yl)-3-phenylbutan-1-one
CID 4884703
N-benzyl-5-oxo-5-phenylpentanamide
CID 14428237

Frequently Asked Questions

What is the IUPAC name of (4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one?
The IUPAC name of (4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one (CID 7160001) is (4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for (4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for (4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one is CC(=O)C1=CN(Cc2ccccc2)C(=O)C[C@@H]1c1ccccc1.
What is the InChIKey of (4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one?
The InChIKey is BRXXDFBJQKCILZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15(22)19-14-21(13-16-8-4-2-5-9-16)20(23)12-18(19)17-10-6-3-7-11-17/h2-11,14,18H,12-13H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one?
(4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-acetyl-1-benzyl-4-phenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 7160001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).