4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid

C11H14N2O3 — CID 141183212

IUPAC4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1c1ccc[nH]c1=O
InChIInChI=1S/C11H14N2O3/c14-10-8(2-1-4-13-10)7-3-5-12-6-9(7)11(15)16/h1-2,4,7,9,12H,3,5-6H2,(H,13,14)(H,15,16)
InChIKeyKWOGZQGJLDLGGT-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.15
Rot. Bonds2

About 4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid

4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid (PubChem CID 141183212) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid
PubChem CID141183212
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCCC1c1ccc[nH]c1=O
InChIInChI=1S/C11H14N2O3/c14-10-8(2-1-4-13-10)7-3-5-12-6-9(7)11(15)16/h1-2,4,7,9,12H,3,5-6H2,(H,13,14)(H,15,16)
InChIKeyKWOGZQGJLDLGGT-UHFFFAOYSA-N
XLogP0.15
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid?
The IUPAC name of 4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid (CID 141183212) is 4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid is O=C(O)C1CNCCC1c1ccc[nH]c1=O.
What is the InChIKey of 4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid?
The InChIKey is KWOGZQGJLDLGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-8(2-1-4-13-10)7-3-5-12-6-9(7)11(15)16/h1-2,4,7,9,12H,3,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid?
4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 141183212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).