1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid

C12H14N2O4 — CID 24694198

IUPAC1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C12H14N2O4/c15-10-9(2-1-5-13-10)11(16)14-6-3-8(4-7-14)12(17)18/h1-2,5,8H,3-4,6-7H2,(H,13,15)(H,17,18)
InChIKeyDTOWJCVNEFBLBC-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.31
Rot. Bonds2

About 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid

1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 24694198) 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-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID24694198
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C12H14N2O4/c15-10-9(2-1-5-13-10)11(16)14-6-3-8(4-7-14)12(17)18/h1-2,5,8H,3-4,6-7H2,(H,13,15)(H,17,18)
InChIKeyDTOWJCVNEFBLBC-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid (CID 24694198) is 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc[nH]c2=O)CC1.
What is the InChIKey of 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is DTOWJCVNEFBLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-9(2-1-5-13-10)11(16)14-6-3-8(4-7-14)12(17)18/h1-2,5,8H,3-4,6-7H2,(H,13,15)(H,17,18).
What are the key properties of 1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid?
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 24694198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).