1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one

C24H23FN2O3 — CID 172659354

IUPAC1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H23FN2O3/c1-16-10-15-27(20-6-4-19(25)5-7-20)24(30)22(16)23(29)26-13-11-18(12-14-26)17-2-8-21(28)9-3-17/h2-10,15,18,28H,11-14H2,1H3
InChIKeyIBMSSVXFARGOFJ-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.01
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one

1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one (PubChem CID 172659354) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one
PubChem CID172659354
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H23FN2O3/c1-16-10-15-27(20-6-4-19(25)5-7-20)24(30)22(16)23(29)26-13-11-18(12-14-26)17-2-8-21(28)9-3-17/h2-10,15,18,28H,11-14H2,1H3
InChIKeyIBMSSVXFARGOFJ-UHFFFAOYSA-N
XLogP4.01
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-methyl-3-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]pyridin-2-one
CID 172666863
ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate
CID 172672823
3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172673919
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172666521
methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride
CID 172912085
3-[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-2-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172657136
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172672652
(4-bromo-2,5-dimethylfuran-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 78862494
7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645866
8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172655333
3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one
CID 172670453
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one (CID 172659354) is 1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one is Cc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one?
The InChIKey is IBMSSVXFARGOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-16-10-15-27(20-6-4-19(25)5-7-20)24(30)22(16)23(29)26-13-11-18(12-14-26)17-2-8-21(28)9-3-17/h2-10,15,18,28H,11-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one?
1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one has a molecular weight of 406.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one is sourced from PubChem (CID 172659354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).