2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid

C14H18N2O3 — CID 106742085

IUPAC2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cccnc1C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H18N2O3/c1-9-4-3-6-15-12(9)13(17)16-7-5-11(14(18)19)8-10(16)2/h3-4,6,10-11H,5,7-8H2,1-2H3,(H,18,19)
InChIKeyWNCFNNRPRSINPR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.72
Rot. Bonds2

About 2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid

2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 106742085) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID106742085
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
SMILESCc1cccnc1C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H18N2O3/c1-9-4-3-6-15-12(9)13(17)16-7-5-11(14(18)19)8-10(16)2/h3-4,6,10-11H,5,7-8H2,1-2H3,(H,18,19)
InChIKeyWNCFNNRPRSINPR-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid (CID 106742085) is 2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid is Cc1cccnc1C(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is WNCFNNRPRSINPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-4-3-6-15-12(9)13(17)16-7-5-11(14(18)19)8-10(16)2/h3-4,6,10-11H,5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid?
2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106742085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).