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

C12H14N2O4 — CID 24710485

IUPAC1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H14N2O4/c15-10-4-3-8(6-13-10)11(16)14-5-1-2-9(7-14)12(17)18/h3-4,6,9H,1-2,5,7H2,(H,13,15)(H,17,18)
InChIKeyFVTQPKZFXACSJZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.31
Rot. Bonds2

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

1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 24710485) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID24710485
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H14N2O4/c15-10-4-3-8(6-13-10)11(16)14-5-1-2-9(7-14)12(17)18/h3-4,6,9H,1-2,5,7H2,(H,13,15)(H,17,18)
InChIKeyFVTQPKZFXACSJZ-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-[(6-Oxo-1,6-dihydropyridin-3-yl)carbonyl]piperidine-4-carboxylic acid
CID 3605122
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 24693686
(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxylic acid
CID 118282129
(3R,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1,3-dicarboxylic acid
CID 123388855
(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1,3-dicarboxylic acid
CID 123840785
4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid
CID 141183212
(4S,4aR)-1-oxo-3,4,4a,5-tetrahydro-2H-isoquinoline-4-carboxylic acid
CID 153936331
1-(Cyclohexa-1,5-diene-1-carbonyl)piperidine-3-carboxylic acid
CID 173546573
4-(1-Methyl-2-oxo-4-pyridinyl)piperidine-1,3-dicarboxylic acid
CID 177707222
1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 178133453
Dichloroplatinum(2+);1,2-dihydropyridine-5-carboxylate;piperidin-1-ide-3-carboxylic acid
CID 24193808
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 24702903

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (CID 24710485) is 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is FVTQPKZFXACSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-4-3-8(6-13-10)11(16)14-5-1-2-9(7-14)12(17)18/h3-4,6,9H,1-2,5,7H2,(H,13,15)(H,17,18).
What are the key properties of 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
1-(6-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-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 24710485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).