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

C15H23F2N3O — CID 137449097

IUPAC1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CCN(CC(F)F)CC2)c1=O
InChIInChI=1S/C15H23F2N3O/c1-11(2)18-13-4-3-7-20(15(13)21)12-5-8-19(9-6-12)10-14(16)17/h3-4,7,11-12,14,18H,5-6,8-10H2,1-2H3
InChIKeyBBPJJUOOMMVNDC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.57
Rot. Bonds5

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

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137449097) has the molecular formula C15H23F2N3O and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137449097
Molecular FormulaC15H23F2N3O
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2CCN(CC(F)F)CC2)c1=O
InChIInChI=1S/C15H23F2N3O/c1-11(2)18-13-4-3-7-20(15(13)21)12-5-8-19(9-6-12)10-14(16)17/h3-4,7,11-12,14,18H,5-6,8-10H2,1-2H3
InChIKeyBBPJJUOOMMVNDC-UHFFFAOYSA-N
XLogP2.57
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.57
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-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one (CID 137449097) is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn(C2CCN(CC(F)F)CC2)c1=O.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is BBPJJUOOMMVNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-11(2)18-13-4-3-7-20(15(13)21)12-5-8-19(9-6-12)10-14(16)17/h3-4,7,11-12,14,18H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 299.37 g/mol, XLogP of 2.57, 5 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-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137449097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).