3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C14H15N3O2 — CID 16620883

IUPAC3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCCC1
InChIInChI=1S/C14H15N3O2/c18-13(16-7-3-1-4-8-16)11-10-15-12-6-2-5-9-17(12)14(11)19/h2,5-6,9-10H,1,3-4,7-8H2
InChIKeyVEGOVJRLUWYAGW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.32
Rot. Bonds1

About 3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 16620883) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID16620883
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CCCCC1
InChIInChI=1S/C14H15N3O2/c18-13(16-7-3-1-4-8-16)11-10-15-12-6-2-5-9-17(12)14(11)19/h2,5-6,9-10H,1,3-4,7-8H2
InChIKeyVEGOVJRLUWYAGW-UHFFFAOYSA-N
XLogP1.32
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 16620883) is 3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CCCCC1.
What is the InChIKey of 3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VEGOVJRLUWYAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13(16-7-3-1-4-8-16)11-10-15-12-6-2-5-9-17(12)14(11)19/h2,5-6,9-10H,1,3-4,7-8H2.
What are the key properties of 3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 257.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16620883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).