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

C13H15N3O — CID 14174090

IUPAC2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCCCC2)nc2ccccn12
InChIInChI=1S/C13H15N3O/c17-13-10-12(15-7-3-1-4-8-15)14-11-6-2-5-9-16(11)13/h2,5-6,9-10H,1,3-4,7-8H2
InChIKeyZQWULCZWFYQRLK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.68
Rot. Bonds1

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

2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 14174090) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID14174090
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCCCC2)nc2ccccn12
InChIInChI=1S/C13H15N3O/c17-13-10-12(15-7-3-1-4-8-15)14-11-6-2-5-9-16(11)13/h2,5-6,9-10H,1,3-4,7-8H2
InChIKeyZQWULCZWFYQRLK-UHFFFAOYSA-N
XLogP1.68
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 14174090) is 2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCCCC2)nc2ccccn12.
What is the InChIKey of 2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZQWULCZWFYQRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13-10-12(15-7-3-1-4-8-15)14-11-6-2-5-9-16(11)13/h2,5-6,9-10H,1,3-4,7-8H2.
What are the key properties of 2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 14174090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).