1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid

C13H16N2O3 — CID 16790190

IUPAC1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C13H16N2O3/c1-9-2-3-11(8-14-9)12(16)15-6-4-10(5-7-15)13(17)18/h2-3,8,10H,4-7H2,1H3,(H,17,18)
InChIKeyRYKQALXOIMIXBK-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.33
Rot. Bonds2

About 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid

1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 16790190) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID16790190
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C13H16N2O3/c1-9-2-3-11(8-14-9)12(16)15-6-4-10(5-7-15)13(17)18/h2-3,8,10H,4-7H2,1H3,(H,17,18)
InChIKeyRYKQALXOIMIXBK-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 82701353
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175
(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999664
(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 63753826
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid (CID 16790190) is 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid is Cc1ccc(C(=O)N2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is RYKQALXOIMIXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-2-3-11(8-14-9)12(16)15-6-4-10(5-7-15)13(17)18/h2-3,8,10H,4-7H2,1H3,(H,17,18).
What are the key properties of 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid?
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 16790190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).