3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one

C11H16FN3O — CID 137457535

IUPAC3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one
SMILESCN1CCC(n2cc(F)cc(N)c2=O)CC1
InChIInChI=1S/C11H16FN3O/c1-14-4-2-9(3-5-14)15-7-8(12)6-10(13)11(15)16/h6-7,9H,2-5,13H2,1H3
InChIKeyBOOYHTBBBKTDDP-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.84
Rot. Bonds1

About 3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one

3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one (PubChem CID 137457535) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one
PubChem CID137457535
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one
SMILESCN1CCC(n2cc(F)cc(N)c2=O)CC1
InChIInChI=1S/C11H16FN3O/c1-14-4-2-9(3-5-14)15-7-8(12)6-10(13)11(15)16/h6-7,9H,2-5,13H2,1H3
InChIKeyBOOYHTBBBKTDDP-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-5-fluoro-1-propylpyridin-2-one
CID 122630844
5-Fluoro-1-(1-methylpiperidin-4-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449036
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449077
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449078
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449097
1-[1-(2-Fluoroethyl)piperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449100
1-[1-(2-Fluoroethyl)piperidin-3-yl]-3-(methylamino)pyridin-2-one
CID 137449107
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449496
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-3-(methylamino)pyridin-2-one
CID 137449499
1-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449525
1-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449526
3-amino-1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137449694

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The IUPAC name of 3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one (CID 137457535) is 3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The canonical SMILES for 3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one is CN1CCC(n2cc(F)cc(N)c2=O)CC1.
What is the InChIKey of 3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one?
The InChIKey is BOOYHTBBBKTDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-14-4-2-9(3-5-14)15-7-8(12)6-10(13)11(15)16/h6-7,9H,2-5,13H2,1H3.
What are the key properties of 3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one?
3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one has a molecular weight of 225.27 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1-(1-methylpiperidin-4-yl)pyridin-2-one is sourced from PubChem (CID 137457535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).