5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one

C12H16F2N2O — CID 163237844

IUPAC5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one
SMILESCCn1cc(C2CNCCC2(F)F)ccc1=O
InChIInChI=1S/C12H16F2N2O/c1-2-16-8-9(3-4-11(16)17)10-7-15-6-5-12(10,13)14/h3-4,8,10,15H,2,5-7H2,1H3
InChIKeyIRZSZLSWCPHMPR-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.58
Rot. Bonds2

About 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one

5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one (PubChem CID 163237844) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one
PubChem CID163237844
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one
SMILESCCn1cc(C2CNCCC2(F)F)ccc1=O
InChIInChI=1S/C12H16F2N2O/c1-2-16-8-9(3-4-11(16)17)10-7-15-6-5-12(10,13)14/h3-4,8,10,15H,2,5-7H2,1H3
InChIKeyIRZSZLSWCPHMPR-UHFFFAOYSA-N
XLogP1.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 55171098
1-(Difluoromethyl)-4-piperidin-4-ylpyridin-2-one
CID 59627430
1-(Difluoromethyl)-5-piperidin-4-ylpyridin-2-one
CID 59627442
5-(2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl)-1-methylpyridin-2(1H)-one
CID 86716047
2,2,2-trifluoro-N-[(E)-2-methylidene-4-piperidin-4-ylpent-3-enyl]acetamide
CID 88940834
2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide
CID 123222641
N-(2,2-difluorobutyl)-9-ethyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123247620
3,9-dimethyl-2-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123843475
1-Cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
CID 141141494
2,2,2-trifluoro-N-[(3E)-4-piperidin-4-yl-2-propan-2-ylidenehexa-3,5-dienyl]acetamide
CID 144211466

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one (CID 163237844) is 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one is CCn1cc(C2CNCCC2(F)F)ccc1=O.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one?
The InChIKey is IRZSZLSWCPHMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-2-16-8-9(3-4-11(16)17)10-7-15-6-5-12(10,13)14/h3-4,8,10,15H,2,5-7H2,1H3.
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one?
5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one has a molecular weight of 242.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-3-yl)-1-ethylpyridin-2-one is sourced from PubChem (CID 163237844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).