8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

C13H14FN3O — CID 115054721

IUPAC8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNCC2)nc2cc(F)ccn12
InChIInChI=1S/C13H14FN3O/c14-10-3-6-17-12(7-10)16-11(8-13(17)18)9-1-4-15-5-2-9/h3,6-9,15H,1-2,4-5H2
InChIKeySBHFKRWTAFTMQU-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.30
Rot. Bonds1

About 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054721) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115054721
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNCC2)nc2cc(F)ccn12
InChIInChI=1S/C13H14FN3O/c14-10-3-6-17-12(7-10)16-11(8-13(17)18)9-1-4-15-5-2-9/h3,6-9,15H,1-2,4-5H2
InChIKeySBHFKRWTAFTMQU-UHFFFAOYSA-N
XLogP1.30
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054719
6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054621
2-(piperidin-4-ylmethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054700
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189
2-cyclopropyl-7-fluoro-3-methylimidazo[1,2-a]pyridine
CID 89404588
6-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridine
CID 84684716
5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 105473879
4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622
8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 154920478
3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054586
7-fluoro-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine
CID 105457249
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 115054721) is 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNCC2)nc2cc(F)ccn12.
What is the InChIKey of 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SBHFKRWTAFTMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-3-6-17-12(7-10)16-11(8-13(17)18)9-1-4-15-5-2-9/h3,6-9,15H,1-2,4-5H2.
What are the key properties of 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 247.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).