4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one

C19H21FN2O2 — CID 137345836

IUPAC4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
SMILESCc1cc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)ccc1F
InChIInChI=1S/C19H21FN2O2/c1-13-11-16(3-4-17(13)20)19(24)22-9-6-14(7-10-22)15-5-8-21(2)18(23)12-15/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3
InChIKeyAPQXTNJWFNAQNY-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.85
Rot. Bonds2

About 4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one

4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 137345836) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID137345836
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
SMILESCc1cc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)ccc1F
InChIInChI=1S/C19H21FN2O2/c1-13-11-16(3-4-17(13)20)19(24)22-9-6-14(7-10-22)15-5-8-21(2)18(23)12-15/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3
InChIKeyAPQXTNJWFNAQNY-UHFFFAOYSA-N
XLogP2.85
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N,N'-dibenzoylpiperazine
CID 80185
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide hydrochloride
CID 14553502
N-{2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
CID 14553604

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one (CID 137345836) is 4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one is Cc1cc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)ccc1F.
What is the InChIKey of 4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is APQXTNJWFNAQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-11-16(3-4-17(13)20)19(24)22-9-6-14(7-10-22)15-5-8-21(2)18(23)12-15/h3-5,8,11-12,14H,6-7,9-10H2,1-2H3.
What are the key properties of 4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 328.39 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 137345836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).