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

C13H16N2O3 — CID 62339102

IUPAC1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cccnc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-9-5-4-7-14-11(9)12(16)15-8-3-2-6-10(15)13(17)18/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyDMTJAMVLLGRCSS-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.47
Rot. Bonds2

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

1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 62339102) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID62339102
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cccnc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-9-5-4-7-14-11(9)12(16)15-8-3-2-6-10(15)13(17)18/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyDMTJAMVLLGRCSS-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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Related Compounds

1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874
1-[2-(3-methyl-2-pyridinyl)acetyl]azepane-2-carboxylic acid
CID 107147224
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 106742085
(2S)-1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 97169127
(2R)-1-(3-aminopyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 154745570
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 107147142
1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide
CID 107518190
2-(3-methylpyridine-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891420

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid (CID 62339102) is 1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid is Cc1cccnc1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is DMTJAMVLLGRCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-5-4-7-14-11(9)12(16)15-8-3-2-6-10(15)13(17)18/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid?
1-(3-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-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 62339102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).