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

C12H14N2O3 — CID 16769943

IUPAC1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C12H14N2O3/c15-11(10-5-1-2-6-13-10)14-7-3-4-9(8-14)12(16)17/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyJYSSUXMJWSBYLQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.02
Rot. Bonds2

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

1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 16769943) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID16769943
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C12H14N2O3/c15-11(10-5-1-2-6-13-10)14-7-3-4-9(8-14)12(16)17/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyJYSSUXMJWSBYLQ-UHFFFAOYSA-N
XLogP1.02
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid (CID 16769943) is 1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccccn2)C1.
What is the InChIKey of 1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is JYSSUXMJWSBYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(10-5-1-2-6-13-10)14-7-3-4-9(8-14)12(16)17/h1-2,5-6,9H,3-4,7-8H2,(H,16,17).
What are the key properties of 1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid?
1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 16769943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).