3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one

C10H13F2N3O — CID 164734894

IUPAC3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
SMILESNc1cc(C2CNCCC2(F)F)c[nH]c1=O
InChIInChI=1S/C10H13F2N3O/c11-10(12)1-2-14-5-7(10)6-3-8(13)9(16)15-4-6/h3-4,7,14H,1-2,5,13H2,(H,15,16)
InChIKeyHYYPCWVXYPWPSR-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.67
Rot. Bonds1

About 3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one

3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one (PubChem CID 164734894) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
PubChem CID164734894
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
SMILESNc1cc(C2CNCCC2(F)F)c[nH]c1=O
InChIInChI=1S/C10H13F2N3O/c11-10(12)1-2-14-5-7(10)6-3-8(13)9(16)15-4-6/h3-4,7,14H,1-2,5,13H2,(H,15,16)
InChIKeyHYYPCWVXYPWPSR-UHFFFAOYSA-N
XLogP0.67
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
CID 72046368
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
1-(Difluoromethyl)-4-piperidin-4-ylpyridin-2-one
CID 59627430
1-(Difluoromethyl)-5-piperidin-4-ylpyridin-2-one
CID 59627442
3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
CID 163237615
5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 163237635
5-Piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 163237734
1-(2,2-Difluoroethyl)-5-(4,4-difluoropiperidin-3-yl)pyridin-2-one
CID 163237763
tert-butyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidine-1-carboxylate
CID 163237830
5-(4,4-Difluoropiperidin-3-yl)-1-ethylpyridin-2-one
CID 163237844

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one (CID 164734894) is 3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one is Nc1cc(C2CNCCC2(F)F)c[nH]c1=O.
What is the InChIKey of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The InChIKey is HYYPCWVXYPWPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12)1-2-14-5-7(10)6-3-8(13)9(16)15-4-6/h3-4,7,14H,1-2,5,13H2,(H,15,16).
What are the key properties of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one has a molecular weight of 229.23 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 164734894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).