2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid

C11H18N4O2 — CID 106745131

IUPAC2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1Cc1ncnn1C
InChIInChI=1S/C11H18N4O2/c1-8-5-9(11(16)17)3-4-15(8)6-10-12-7-13-14(10)2/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyXTHDKXBQXTXSER-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.50
Rot. Bonds3

About 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid

2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 106745131) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid
PubChem CID106745131
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1Cc1ncnn1C
InChIInChI=1S/C11H18N4O2/c1-8-5-9(11(16)17)3-4-15(8)6-10-12-7-13-14(10)2/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyXTHDKXBQXTXSER-UHFFFAOYSA-N
XLogP0.50
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744805
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744710
1-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745111
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213
2-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-4-carboxylic acid
CID 106744899
2-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxylic acid
CID 106744778
[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 65417436
1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745166
1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745496
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745067
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372100
1-[(4-cyanophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid (CID 106745131) is 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1Cc1ncnn1C.
What is the InChIKey of 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is XTHDKXBQXTXSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-5-9(11(16)17)3-4-15(8)6-10-12-7-13-14(10)2/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid?
2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106745131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).