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

1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
CID 137343890
(3-bromopyrrolidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 80677888
(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236873
1-(4-fluorophenyl)-4-methyl-3-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]pyridin-2-one
CID 172666863
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 133116929
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321
1-methyl-4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidin-4-yl]pyridin-2-one
CID 138381677
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138383113
[4-(4-fluoro-3-methylphenyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 70288816
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745

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).