4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid

C13H16N2O3 — CID 112700608

IUPAC4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C13H16N2O3/c1-9-3-2-6-15(8-9)12(16)10-4-5-14-11(7-10)13(17)18/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyZMRFSAXSGJYLPH-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.65
Rot. Bonds2

About 4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid

4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 112700608) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID112700608
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C13H16N2O3/c1-9-3-2-6-15(8-9)12(16)10-4-5-14-11(7-10)13(17)18/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyZMRFSAXSGJYLPH-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109086112
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid (CID 112700608) is 4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid is CC1CCCN(C(=O)c2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is ZMRFSAXSGJYLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-3-2-6-15(8-9)12(16)10-4-5-14-11(7-10)13(17)18/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 112700608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).