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

C13H19F2N3O — CID 139384011

IUPAC1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(C2CCN(CC(F)F)CC2)c1=O
InChIInChI=1S/C13H19F2N3O/c1-16-11-3-2-6-18(13(11)19)10-4-7-17(8-5-10)9-12(14)15/h2-3,6,10,12,16H,4-5,7-9H2,1H3
InChIKeyGPGVYMNYPNUYAQ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.79
Rot. Bonds4

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

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one (PubChem CID 139384011) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
PubChem CID139384011
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(C2CCN(CC(F)F)CC2)c1=O
InChIInChI=1S/C13H19F2N3O/c1-16-11-3-2-6-18(13(11)19)10-4-7-17(8-5-10)9-12(14)15/h2-3,6,10,12,16H,4-5,7-9H2,1H3
InChIKeyGPGVYMNYPNUYAQ-UHFFFAOYSA-N
XLogP1.79
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one (CID 139384011) is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one is CNc1cccn(C2CCN(CC(F)F)CC2)c1=O.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one?
The InChIKey is GPGVYMNYPNUYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-16-11-3-2-6-18(13(11)19)10-4-7-17(8-5-10)9-12(14)15/h2-3,6,10,12,16H,4-5,7-9H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one?
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one has a molecular weight of 271.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 139384011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).