1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one

C14H21F2N3O — CID 137457655

IUPAC1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn([C@@H]2CCN(C)CC2(F)F)c1=O
InChIInChI=1S/C14H21F2N3O/c1-10(2)17-11-5-4-7-19(13(11)20)12-6-8-18(3)9-14(12,15)16/h4-5,7,10,12,17H,6,8-9H2,1-3H3/t12-/m1/s1
InChIKeyOXKGQOFNUDOHBE-GFCCVEGCSA-N
MW285.34 g/mol
LogP2.18
Rot. Bonds3

About 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one

1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457655) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457655
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn([C@@H]2CCN(C)CC2(F)F)c1=O
InChIInChI=1S/C14H21F2N3O/c1-10(2)17-11-5-4-7-19(13(11)20)12-6-8-18(3)9-14(12,15)16/h4-5,7,10,12,17H,6,8-9H2,1-3H3/t12-/m1/s1
InChIKeyOXKGQOFNUDOHBE-GFCCVEGCSA-N
XLogP2.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one (CID 137457655) is 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn([C@@H]2CCN(C)CC2(F)F)c1=O.
What is the InChIKey of 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is OXKGQOFNUDOHBE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-10(2)17-11-5-4-7-19(13(11)20)12-6-8-18(3)9-14(12,15)16/h4-5,7,10,12,17H,6,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 285.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).