5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C17H16F2N2O2 — CID 122136984

IUPAC5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H16F2N2O2/c18-14-3-1-12(9-15(14)19)11-5-7-21(8-6-11)17(23)13-2-4-16(22)20-10-13/h1-4,9-11H,5-8H2,(H,20,22)
InChIKeyXJRFGPQFUNKKIA-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.67
Rot. Bonds2

About 5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 122136984) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID122136984
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H16F2N2O2/c18-14-3-1-12(9-15(14)19)11-5-7-21(8-6-11)17(23)13-2-4-16(22)20-10-13/h1-4,9-11H,5-8H2,(H,20,22)
InChIKeyXJRFGPQFUNKKIA-UHFFFAOYSA-N
XLogP2.67
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129352246
2-chloro-1-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanone
CID 166403888
5-[7-(2,5-difluorophenyl)-1,4-thiazepane-4-carbonyl]-1H-pyridin-2-one
CID 90631563
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
5-[4-(3-methyl-1,2-oxazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 166328342
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
N-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 49348738
5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 136514431
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 137345836
5-[7-(1,3-benzodioxol-5-yl)-1,4-thiazepane-4-carbonyl]-1H-pyridin-2-one
CID 90630525
N-(diaminomethylidene)-2,5-dimethyl-4-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 58269553
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 122136984) is 5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is XJRFGPQFUNKKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-14-3-1-12(9-15(14)19)11-5-7-21(8-6-11)17(23)13-2-4-16(22)20-10-13/h1-4,9-11H,5-8H2,(H,20,22).
What are the key properties of 5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 318.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-difluorophenyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 122136984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).