1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one

C12H17FN2O — CID 142523569

IUPAC1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one
SMILESCc1cccn(C2CCN(C)C[C@H]2F)c1=O
InChIInChI=1S/C12H17FN2O/c1-9-4-3-6-15(12(9)16)11-5-7-14(2)8-10(11)13/h3-4,6,10-11H,5,7-8H2,1-2H3/t10-,11?/m1/s1
InChIKeyOVZJJGQXUWMAFC-NFJWQWPMSA-N
MW224.28 g/mol
LogP1.37
Rot. Bonds1

About 1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one

1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one (PubChem CID 142523569) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one
PubChem CID142523569
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one
SMILESCc1cccn(C2CCN(C)C[C@H]2F)c1=O
InChIInChI=1S/C12H17FN2O/c1-9-4-3-6-15(12(9)16)11-5-7-14(2)8-10(11)13/h3-4,6,10-11H,5,7-8H2,1-2H3/t10-,11?/m1/s1
InChIKeyOVZJJGQXUWMAFC-NFJWQWPMSA-N
XLogP1.37
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-Methylpiperidin-3-yl)methyl]pyridin-2-one
CID 44410569
1-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 93613532
N-cyclopentyl-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 136525314
3-{3-Fluoro-8-azabicyclo[3.2.1]octane-8-carbonyl}-1-methyl-1,2-dihydropyridin-2-one
CID 137968063
3-amino-1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137449694
3-Amino-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 137450325
3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137450536
3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137450744
3-amino-1-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137457324
3-Amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one
CID 137457535
3-Tert-butyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156357512
3-Tert-butyl-1-(3-fluoro-1-methylpiperidin-4-yl)pyridin-2-one
CID 156357514

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one?
The IUPAC name of 1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one (CID 142523569) is 1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one is Cc1cccn(C2CCN(C)C[C@H]2F)c1=O.
What is the InChIKey of 1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one?
The InChIKey is OVZJJGQXUWMAFC-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9-4-3-6-15(12(9)16)11-5-7-14(2)8-10(11)13/h3-4,6,10-11H,5,7-8H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of 1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one?
1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one has a molecular weight of 224.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-3-methylpyridin-2-one is sourced from PubChem (CID 142523569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).