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

C15H15N3O4 — CID 124702413

IUPAC(2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=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)/t11-/m0/s1
InChIKeyRJKVHDWREWKSKG-NSHDSACASA-N
MW301.30 g/mol
LogP0.77
Rot. Bonds2

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

(2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 124702413) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID124702413
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=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)/t11-/m0/s1
InChIKeyRJKVHDWREWKSKG-NSHDSACASA-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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Related Compounds

1-(4-Oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355716
3-[2-(Hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 43421147
1-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid
CID 43441125
2-[(4-Oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 43630801
(2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137942
2-[Methyl-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 61818607
(2R)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921369
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83878710
(2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 107563671
(2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 107564699
1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]piperidine-2-carboxylic acid
CID 119137785
1-(8-Methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119356896

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid (CID 124702413) is (2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of (2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is RJKVHDWREWKSKG-NSHDSACASA-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)/t11-/m0/s1.
What are the key properties of (2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid?
(2S)-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 (2S)-1-(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 124702413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).