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

C12H17F2N3O — CID 175704513

IUPAC3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
SMILESCC(N)c1cc(C2CNCCC2(F)F)c[nH]c1=O
InChIInChI=1S/C12H17F2N3O/c1-7(15)9-4-8(5-17-11(9)18)10-6-16-3-2-12(10,13)14/h4-5,7,10,16H,2-3,6,15H2,1H3,(H,17,18)
InChIKeyKNPBIZPHOZXNSX-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.11
Rot. Bonds2

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

3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one (PubChem CID 175704513) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
PubChem CID175704513
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
SMILESCC(N)c1cc(C2CNCCC2(F)F)c[nH]c1=O
InChIInChI=1S/C12H17F2N3O/c1-7(15)9-4-8(5-17-11(9)18)10-6-16-3-2-12(10,13)14/h4-5,7,10,16H,2-3,6,15H2,1H3,(H,17,18)
InChIKeyKNPBIZPHOZXNSX-UHFFFAOYSA-N
XLogP1.11
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one (CID 175704513) is 3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one is CC(N)c1cc(C2CNCCC2(F)F)c[nH]c1=O.
What is the InChIKey of 3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The InChIKey is KNPBIZPHOZXNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-7(15)9-4-8(5-17-11(9)18)10-6-16-3-2-12(10,13)14/h4-5,7,10,16H,2-3,6,15H2,1H3,(H,17,18).
What are the key properties of 3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one has a molecular weight of 257.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 175704513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).