4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid

C13H16N2O4 — CID 63123248

IUPAC4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H16N2O4/c1-13(12(18)19)4-6-15(7-5-13)11(17)9-2-3-10(16)14-8-9/h2-3,8H,4-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyPLPPQSFEDNEAMD-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.70
Rot. Bonds2

About 4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid

4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 63123248) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID63123248
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H16N2O4/c1-13(12(18)19)4-6-15(7-5-13)11(17)9-2-3-10(16)14-8-9/h2-3,8H,4-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyPLPPQSFEDNEAMD-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 4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid (CID 63123248) is 4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is PLPPQSFEDNEAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(12(18)19)4-6-15(7-5-13)11(17)9-2-3-10(16)14-8-9/h2-3,8H,4-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid?
4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-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 4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63123248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).