3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one

C11H16FN3O — CID 137450536

IUPAC3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
SMILESCN1CCC(n2cccc(N)c2=O)[C@@H](F)C1
InChIInChI=1S/C11H16FN3O/c1-14-6-4-10(8(12)7-14)15-5-2-3-9(13)11(15)16/h2-3,5,8,10H,4,6-7,13H2,1H3/t8-,10?/m0/s1
InChIKeyDRAZTAULBVWSGS-PEHGTWAWSA-N
MW225.27 g/mol
LogP0.65
Rot. Bonds1

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

3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one (PubChem CID 137450536) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
PubChem CID137450536
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
SMILESCN1CCC(n2cccc(N)c2=O)[C@@H](F)C1
InChIInChI=1S/C11H16FN3O/c1-14-6-4-10(8(12)7-14)15-5-2-3-9(13)11(15)16/h2-3,5,8,10H,4,6-7,13H2,1H3/t8-,10?/m0/s1
InChIKeyDRAZTAULBVWSGS-PEHGTWAWSA-N
XLogP0.65
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(2R)-2-fluorocyclopropyl]pyridin-2-one;hydrochloride
CID 162319124
methyl 1-[(4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450635
3-amino-1-[(1S,2R)-2-hydroxycyclobutyl]pyridin-2-one
CID 146572606
3-amino-1-[(1S,2S)-2-aminocyclobutyl]pyridin-2-one
CID 137457656
3-amino-1-cyclopropylpyridin-2-one
CID 82466689
3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one;hydrochloride
CID 162308207
3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one
CID 137457484
3-amino-1-[(2R)-2-methoxycyclopentyl]pyridin-2-one
CID 137450052
3-amino-1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]pyridin-2-one
CID 137457784
3-amino-1-[(3S)-3-methoxyoxan-4-yl]pyridin-2-one
CID 159277400
3-amino-1-(2,2-difluorocyclopropyl)pyridin-2-one;hydrochloride
CID 164554871
1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one
CID 177200034

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one (CID 137450536) is 3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one is CN1CCC(n2cccc(N)c2=O)[C@@H](F)C1.
What is the InChIKey of 3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one?
The InChIKey is DRAZTAULBVWSGS-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-14-6-4-10(8(12)7-14)15-5-2-3-9(13)11(15)16/h2-3,5,8,10H,4,6-7,13H2,1H3/t8-,10?/m0/s1.
What are the key properties of 3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one?
3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one has a molecular weight of 225.27 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 137450536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).