3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one

C12H17F2N3O — CID 137450871

IUPAC3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one
SMILESNc1cccn(C2CCN(CC(F)F)CC2)c1=O
InChIInChI=1S/C12H17F2N3O/c13-11(14)8-16-6-3-9(4-7-16)17-5-1-2-10(15)12(17)18/h1-2,5,9,11H,3-4,6-8,15H2
InChIKeyRDBGTQLOJNCYOU-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.33
Rot. Bonds3

About 3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one

3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one (PubChem CID 137450871) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one
PubChem CID137450871
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one
SMILESNc1cccn(C2CCN(CC(F)F)CC2)c1=O
InChIInChI=1S/C12H17F2N3O/c13-11(14)8-16-6-3-9(4-7-16)17-5-1-2-10(15)12(17)18/h1-2,5,9,11H,3-4,6-8,15H2
InChIKeyRDBGTQLOJNCYOU-UHFFFAOYSA-N
XLogP1.33
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one (CID 137450871) is 3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one is Nc1cccn(C2CCN(CC(F)F)CC2)c1=O.
What is the InChIKey of 3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one?
The InChIKey is RDBGTQLOJNCYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c13-11(14)8-16-6-3-9(4-7-16)17-5-1-2-10(15)12(17)18/h1-2,5,9,11H,3-4,6-8,15H2.
What are the key properties of 3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one?
3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one has a molecular weight of 257.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 137450871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).