4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde

C14H15N3O2 — CID 794784

IUPAC4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(N2CCCCC2)nc2ccccn2c1=O
InChIInChI=1S/C14H15N3O2/c18-10-11-13(16-7-3-1-4-8-16)15-12-6-2-5-9-17(12)14(11)19/h2,5-6,9-10H,1,3-4,7-8H2
InChIKeyBIEKQSISVQMOKS-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.50
Rot. Bonds2

About 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde

4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 794784) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID794784
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(N2CCCCC2)nc2ccccn2c1=O
InChIInChI=1S/C14H15N3O2/c18-10-11-13(16-7-3-1-4-8-16)15-12-6-2-5-9-17(12)14(11)19/h2,5-6,9-10H,1,3-4,7-8H2
InChIKeyBIEKQSISVQMOKS-UHFFFAOYSA-N
XLogP1.50
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 794784) is 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c(N2CCCCC2)nc2ccccn2c1=O.
What is the InChIKey of 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is BIEKQSISVQMOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-10-11-13(16-7-3-1-4-8-16)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 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 794784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).