1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid

C15H15N3O4 — CID 119137785

IUPAC1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H15N3O4/c19-13(17-7-3-1-5-11(17)15(21)22)10-9-16-12-6-2-4-8-18(12)14(10)20/h2,4,6,8-9,11H,1,3,5,7H2,(H,21,22)
InChIKeyRJKVHDWREWKSKG-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.77
Rot. Bonds2

About 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid

1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 119137785) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID119137785
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H15N3O4/c19-13(17-7-3-1-5-11(17)15(21)22)10-9-16-12-6-2-4-8-18(12)14(10)20/h2,4,6,8-9,11H,1,3,5,7H2,(H,21,22)
InChIKeyRJKVHDWREWKSKG-UHFFFAOYSA-N
XLogP0.77
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid (CID 119137785) is 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is RJKVHDWREWKSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-13(17-7-3-1-5-11(17)15(21)22)10-9-16-12-6-2-4-8-18(12)14(10)20/h2,4,6,8-9,11H,1,3,5,7H2,(H,21,22).
What are the key properties of 1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid?
1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 0.77, 2 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]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 119137785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).