1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one

C13H19FN2O — CID 177200099

IUPAC1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn([C@@H]2CCNC[C@@H]2F)c1=O
InChIInChI=1S/C13H19FN2O/c1-9(2)10-4-3-7-16(13(10)17)12-5-6-15-8-11(12)14/h3-4,7,9,11-12,15H,5-6,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyQADQSTULEMRTSP-NWDGAFQWSA-N
MW238.31 g/mol
LogP1.84
Rot. Bonds2

About 1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one

1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one (PubChem CID 177200099) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one
PubChem CID177200099
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn([C@@H]2CCNC[C@@H]2F)c1=O
InChIInChI=1S/C13H19FN2O/c1-9(2)10-4-3-7-16(13(10)17)12-5-6-15-8-11(12)14/h3-4,7,9,11-12,15H,5-6,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyQADQSTULEMRTSP-NWDGAFQWSA-N
XLogP1.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Aminopiperidin-1-yl)(6-hydroxypyridin-3-yl)methanone
CID 43556202
1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
6-ethyl-2-oxo-N-(piperidin-3-ylmethyl)-1,2-dihydropyridine-4-carboxamide
CID 74244916
1-methyl-N-(1-methylpiperidin-3-yl)-6-oxopyridine-3-carboxamide
CID 121558710
(2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
CID 171359526
1-(2-methylpropyl)-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
CID 177665727
1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 55171098
1,2-Dihydropyridin-3-yl-[4-[[6-(3-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinolin-8-yl]amino]piperidin-1-yl]methanone
CID 70903981
(E)-2-[1-[[(6E)-6-fluoro-3-methylideneocta-1,6-dien-2-yl]amino]ethyl]-N-[(3Z)-4-(2-methyl-1-azabicyclo[2.2.2]oct-2-en-3-yl)buta-1,3-dien-2-yl]but-2-enamide
CID 89221834
3,9-dimethyl-2-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123843475
N-[1-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienoyl]piperidin-4-yl]acetamide
CID 142266400

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one (CID 177200099) is 1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one is CC(C)c1cccn([C@@H]2CCNC[C@@H]2F)c1=O.
What is the InChIKey of 1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one?
The InChIKey is QADQSTULEMRTSP-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)10-4-3-7-16(13(10)17)12-5-6-15-8-11(12)14/h3-4,7,9,11-12,15H,5-6,8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one?
1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one has a molecular weight of 238.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-fluoropiperidin-4-yl]-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 177200099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).