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

C15H17N3O3 — CID 43441125

IUPAC1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H17N3O3/c19-14-9-11(16-13-6-2-4-8-18(13)14)10-17-7-3-1-5-12(17)15(20)21/h2,4,6,8-9,12H,1,3,5,7,10H2,(H,20,21)
InChIKeyPHTJPXHOVGAFRH-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.13
Rot. Bonds3

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

1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 43441125) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid
PubChem CID43441125
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C15H17N3O3/c19-14-9-11(16-13-6-2-4-8-18(13)14)10-17-7-3-1-5-12(17)15(20)21/h2,4,6,8-9,12H,1,3,5,7,10H2,(H,20,21)
InChIKeyPHTJPXHOVGAFRH-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 42897795
1-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441785
2-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
CID 43631791
2-[[2-(Hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45798597
Methyl 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 45800743
Methyl 1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 45800744
2-[1-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61372863
2-[Methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]butanoic acid
CID 61817674
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83878710
2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-6-carboxylic acid
CID 83883664
methyl (2S)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 92849165
methyl (2R)-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylate
CID 92849166

Frequently Asked Questions

What is the IUPAC name of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid (CID 43441125) is 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is PHTJPXHOVGAFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14-9-11(16-13-6-2-4-8-18(13)14)10-17-7-3-1-5-12(17)15(20)21/h2,4,6,8-9,12H,1,3,5,7,10H2,(H,20,21).
What are the key properties of 1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid?
1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.13, 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-2-carboxylic acid is sourced from PubChem (CID 43441125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).