6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one

C13H14FN3O — CID 115054613

IUPAC6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCNC2)nc2cccc(F)n12
InChIInChI=1S/C13H14FN3O/c14-11-4-1-5-12-16-10(7-13(18)17(11)12)9-3-2-6-15-8-9/h1,4-5,7,9,15H,2-3,6,8H2
InChIKeyPBIWQZUMXVCBRD-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.30
Rot. Bonds1

About 6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one

6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054613) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115054613
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCNC2)nc2cccc(F)n12
InChIInChI=1S/C13H14FN3O/c14-11-4-1-5-12-16-10(7-13(18)17(11)12)9-3-2-6-15-8-9/h1,4-5,7,9,15H,2-3,6,8H2
InChIKeyPBIWQZUMXVCBRD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-Fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89740350
2-(1-Fluoroethyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740546
3-Ethyl-9-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740549
3-(1-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740551
3-(2-Fluoroethyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740553
2-[1-(3-Fluoropropyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-4-one
CID 89741373
2-(1-Fluoropropyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741703
9-Fluoro-2-piperidin-4-yl-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 89741706
3-(1-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741709
3-(3-Fluoropropyl)-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741712
9-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039372
8-Fluoro-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039374

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one (CID 115054613) is 6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCCNC2)nc2cccc(F)n12.
What is the InChIKey of 6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PBIWQZUMXVCBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-11-4-1-5-12-16-10(7-13(18)17(11)12)9-3-2-6-15-8-9/h1,4-5,7,9,15H,2-3,6,8H2.
What are the key properties of 6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
6-fluoro-2-piperidin-3-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 6-fluoro-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).