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

C12H14N2O4 — CID 24693686

IUPAC1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C12H14N2O4/c15-10-9(4-1-5-13-10)11(16)14-6-2-3-8(7-14)12(17)18/h1,4-5,8H,2-3,6-7H2,(H,13,15)(H,17,18)
InChIKeyQYLRZWNHMRBMPR-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.31
Rot. Bonds2

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

1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 24693686) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID24693686
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C12H14N2O4/c15-10-9(4-1-5-13-10)11(16)14-6-2-3-8(7-14)12(17)18/h1,4-5,8H,2-3,6-7H2,(H,13,15)(H,17,18)
InChIKeyQYLRZWNHMRBMPR-UHFFFAOYSA-N
XLogP0.31
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 120355848
5-[(1-methyl-2H-pyridine-3-carbonyl)amino]pentanoic acid
CID 20131968
1-methyl-2H-pyridine-3-carboxylic acid;piperidine-3-carboxylic acid
CID 158867248
1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 178133453
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 24694198
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 24702903
1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 24710485
(3R)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 28179562
(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 28179564
(3R)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 28200725
(3S)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 28200727
(3R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 28214824

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (CID 24693686) is 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is QYLRZWNHMRBMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-9(4-1-5-13-10)11(16)14-6-2-3-8(7-14)12(17)18/h1,4-5,8H,2-3,6-7H2,(H,13,15)(H,17,18).
What are the key properties of 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 24693686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).