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

C14H22FN3O — CID 137457236

IUPAC1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn([C@H]2CCN(C)C[C@@H]2F)c1=O
InChIInChI=1S/C14H22FN3O/c1-10(2)16-12-5-4-7-18(14(12)19)13-6-8-17(3)9-11(13)15/h4-5,7,10-11,13,16H,6,8-9H2,1-3H3/t11-,13-/m0/s1
InChIKeyFRRIBPVUTBFXBS-AAEUAGOBSA-N
MW267.35 g/mol
LogP1.88
Rot. Bonds3

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

1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457236) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457236
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn([C@H]2CCN(C)C[C@@H]2F)c1=O
InChIInChI=1S/C14H22FN3O/c1-10(2)16-12-5-4-7-18(14(12)19)13-6-8-17(3)9-11(13)15/h4-5,7,10-11,13,16H,6,8-9H2,1-3H3/t11-,13-/m0/s1
InChIKeyFRRIBPVUTBFXBS-AAEUAGOBSA-N
XLogP1.88
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one (CID 137457236) is 1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn([C@H]2CCN(C)C[C@@H]2F)c1=O.
What is the InChIKey of 1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is FRRIBPVUTBFXBS-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(2)16-12-5-4-7-18(14(12)19)13-6-8-17(3)9-11(13)15/h4-5,7,10-11,13,16H,6,8-9H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of 1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 267.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).