1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid

C15H17N3O3 — CID 43440743

IUPAC1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C15H17N3O3/c19-14-8-12(16-13-5-1-2-7-18(13)14)10-17-6-3-4-11(9-17)15(20)21/h1-2,5,7-8,11H,3-4,6,9-10H2,(H,20,21)
InChIKeyDROAAZFMLAAADH-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.99
Rot. Bonds3

About 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid

1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 43440743) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid
PubChem CID43440743
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C15H17N3O3/c19-14-8-12(16-13-5-1-2-7-18(13)14)10-17-6-3-4-11(9-17)15(20)21/h1-2,5,7-8,11H,3-4,6,9-10H2,(H,20,21)
InChIKeyDROAAZFMLAAADH-UHFFFAOYSA-N
XLogP0.99
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid 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 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid (CID 43440743) is 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2cc(=O)n3ccccc3n2)C1.
What is the InChIKey of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is DROAAZFMLAAADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14-8-12(16-13-5-1-2-7-18(13)14)10-17-6-3-4-11(9-17)15(20)21/h1-2,5,7-8,11H,3-4,6,9-10H2,(H,20,21).
What are the key properties of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid?
1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).