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

C11H16FN3O — CID 137450744

IUPAC3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
SMILESCN1CC[C@@H](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-WCBMZHEXSA-N
MW225.27 g/mol
LogP0.65
Rot. Bonds1

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

3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one (PubChem CID 137450744) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
PubChem CID137450744
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
SMILESCN1CC[C@@H](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-WCBMZHEXSA-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one?
The IUPAC name of 3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one (CID 137450744) is 3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one is CN1CC[C@@H](n2cccc(N)c2=O)[C@@H](F)C1.
What is the InChIKey of 3-amino-1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one?
The InChIKey is DRAZTAULBVWSGS-WCBMZHEXSA-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,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one?
3-amino-1-[(3S,4R)-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,4R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 137450744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).