1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid

C13H16N2O3 — CID 16793373

IUPAC1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cccc(C(=O)N2CCCCC2C(=O)O)n1
InChIInChI=1S/C13H16N2O3/c1-9-5-4-6-10(14-9)12(16)15-8-3-2-7-11(15)13(17)18/h4-6,11H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyMYTFMYCKRMLWAB-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.47
Rot. Bonds2

About 1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid

1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 16793373) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID16793373
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cccc(C(=O)N2CCCCC2C(=O)O)n1
InChIInChI=1S/C13H16N2O3/c1-9-5-4-6-10(14-9)12(16)15-8-3-2-7-11(15)13(17)18/h4-6,11H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyMYTFMYCKRMLWAB-UHFFFAOYSA-N
XLogP1.47
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid (CID 16793373) is 1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid is Cc1cccc(C(=O)N2CCCCC2C(=O)O)n1.
What is the InChIKey of 1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is MYTFMYCKRMLWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-5-4-6-10(14-9)12(16)15-8-3-2-7-11(15)13(17)18/h4-6,11H,2-3,7-8H2,1H3,(H,17,18).
What are the key properties of 1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 16793373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).