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

C12H14F5N3O — CID 163238201

IUPAC3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNc1cc(C2CNCCC2(F)F)cn(CC(F)(F)F)c1=O
InChIInChI=1S/C12H14F5N3O/c13-11(14)1-2-19-4-8(11)7-3-9(18)10(21)20(5-7)6-12(15,16)17/h3,5,8,19H,1-2,4,6,18H2
InChIKeySFWUFVMWXWSEKU-UHFFFAOYSA-N
MW311.25 g/mol
LogP1.71
Rot. Bonds2

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

3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 163238201) has the molecular formula C12H14F5N3O and a molecular weight of 311.25 g/mol. Its IUPAC name is 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID163238201
Molecular FormulaC12H14F5N3O
Molecular Weight311.25 g/mol
Exact Mass311.11
IUPAC Name3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESNc1cc(C2CNCCC2(F)F)cn(CC(F)(F)F)c1=O
InChIInChI=1S/C12H14F5N3O/c13-11(14)1-2-19-4-8(11)7-3-9(18)10(21)20(5-7)6-12(15,16)17/h3,5,8,19H,1-2,4,6,18H2
InChIKeySFWUFVMWXWSEKU-UHFFFAOYSA-N
XLogP1.71
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 163238201) is 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one is Nc1cc(C2CNCCC2(F)F)cn(CC(F)(F)F)c1=O.
What is the InChIKey of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is SFWUFVMWXWSEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N3O/c13-11(14)1-2-19-4-8(11)7-3-9(18)10(21)20(5-7)6-12(15,16)17/h3,5,8,19H,1-2,4,6,18H2.
What are the key properties of 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 311.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 163238201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).