3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid

C13H16N2O4 — CID 55164718

IUPAC3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C13H16N2O4/c1-13(12(18)19)5-3-7-15(8-13)11(17)9-4-2-6-14-10(9)16/h2,4,6H,3,5,7-8H2,1H3,(H,14,16)(H,18,19)
InChIKeyXEKYXWKPKWWAJJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.70
Rot. Bonds2

About 3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid

3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 55164718) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID55164718
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C13H16N2O4/c1-13(12(18)19)5-3-7-15(8-13)11(17)9-4-2-6-14-10(9)16/h2,4,6H,3,5,7-8H2,1H3,(H,14,16)(H,18,19)
InChIKeyXEKYXWKPKWWAJJ-UHFFFAOYSA-N
XLogP0.70
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (CID 55164718) is 3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is XEKYXWKPKWWAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(12(18)19)5-3-7-15(8-13)11(17)9-4-2-6-14-10(9)16/h2,4,6H,3,5,7-8H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 55164718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).