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

C14H18N2O3 — CID 122117858

IUPAC5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cccnc1C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c1-9-6-11(14(18)19)8-16(7-9)13(17)12-10(2)4-3-5-15-12/h3-5,9,11H,6-8H2,1-2H3,(H,18,19)
InChIKeyPLEVHCKKGKGIKW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.57
Rot. Bonds2

About 5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid

5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122117858) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID122117858
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cccnc1C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c1-9-6-11(14(18)19)8-16(7-9)13(17)12-10(2)4-3-5-15-12/h3-5,9,11H,6-8H2,1-2H3,(H,18,19)
InChIKeyPLEVHCKKGKGIKW-UHFFFAOYSA-N
XLogP1.57
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997
(6R)-6-methyl-4-(3-methylpyridine-2-carbonyl)morpholine-2-carboxylic acid
CID 120536159
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 106742085
5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 122117740
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 66291772
3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one
CID 114499935
[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964
1-(3,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119496
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
(3-aminopyrrolidin-1-yl)-(3-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119482706

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid (CID 122117858) is 5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid is Cc1cccnc1C(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is PLEVHCKKGKGIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-6-11(14(18)19)8-16(7-9)13(17)12-10(2)4-3-5-15-12/h3-5,9,11H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid?
5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122117858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).