1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid

C13H16N2O4 — CID 43356068

IUPAC1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCn1ccc(C(=O)N2CCCCC2C(=O)O)cc1=O
InChIInChI=1S/C13H16N2O4/c1-14-7-5-9(8-11(14)16)12(17)15-6-3-2-4-10(15)13(18)19/h5,7-8,10H,2-4,6H2,1H3,(H,18,19)
InChIKeyFKIVXFAXQUEDDA-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.46
Rot. Bonds2

About 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid

1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 43356068) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID43356068
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCn1ccc(C(=O)N2CCCCC2C(=O)O)cc1=O
InChIInChI=1S/C13H16N2O4/c1-14-7-5-9(8-11(14)16)12(17)15-6-3-2-4-10(15)13(18)19/h5,7-8,10H,2-4,6H2,1H3,(H,18,19)
InChIKeyFKIVXFAXQUEDDA-UHFFFAOYSA-N
XLogP0.46
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 167791427
(2S)-1-(3-bromo-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 81472429
(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 114103310
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403
1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
1-(4-bromo-3-chlorobenzoyl)azepane-2-carboxylic acid
CID 81290541
(2S)-1-[3-(dimethylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 99713728
1-(3-pyrrol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 119164521
2-(1-methyl-2-oxopyridine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891536

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid (CID 43356068) is 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid is Cn1ccc(C(=O)N2CCCCC2C(=O)O)cc1=O.
What is the InChIKey of 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is FKIVXFAXQUEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-14-7-5-9(8-11(14)16)12(17)15-6-3-2-4-10(15)13(18)19/h5,7-8,10H,2-4,6H2,1H3,(H,18,19).
What are the key properties of 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid?
1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43356068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).