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

C13H14FN3O — CID 115054659

IUPAC7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCCN2)nc2ccc(F)cn12
InChIInChI=1S/C13H14FN3O/c14-9-4-5-12-16-11(7-13(18)17(12)8-9)10-3-1-2-6-15-10/h4-5,7-8,10,15H,1-3,6H2
InChIKeyVOPVDSMBYOWDPX-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.65
Rot. Bonds1

About 7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one

7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054659) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115054659
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCCN2)nc2ccc(F)cn12
InChIInChI=1S/C13H14FN3O/c14-9-4-5-12-16-11(7-13(18)17(12)8-9)10-3-1-2-6-15-10/h4-5,7-8,10,15H,1-3,6H2
InChIKeyVOPVDSMBYOWDPX-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 115054659) is 7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCCCN2)nc2ccc(F)cn12.
What is the InChIKey of 7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VOPVDSMBYOWDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-9-4-5-12-16-11(7-13(18)17(12)8-9)10-3-1-2-6-15-10/h4-5,7-8,10,15H,1-3,6H2.
What are the key properties of 7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 247.27 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-piperidin-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).