1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid

C12H16N2O3 — CID 178133453

IUPAC1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H16N2O3/c15-11-4-3-9(6-13-11)7-14-5-1-2-10(8-14)12(16)17/h3-4,6,10H,1-2,5,7-8H2,(H,13,15)(H,16,17)
InChIKeyHYYJVGOHUHUKJV-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.67
Rot. Bonds3

About 1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid

1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 178133453) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid
PubChem CID178133453
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H16N2O3/c15-11-4-3-9(6-13-11)7-14-5-1-2-10(8-14)12(16)17/h3-4,6,10H,1-2,5,7-8H2,(H,13,15)(H,16,17)
InChIKeyHYYJVGOHUHUKJV-UHFFFAOYSA-N
XLogP0.67
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid (CID 178133453) is 1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2ccc(=O)[nH]c2)C1.
What is the InChIKey of 1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is HYYJVGOHUHUKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-4-3-9(6-13-11)7-14-5-1-2-10(8-14)12(16)17/h3-4,6,10H,1-2,5,7-8H2,(H,13,15)(H,16,17).
What are the key properties of 1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 178133453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).