1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid

C11H18N4O2 — CID 43524950

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1nnc(CN2CCC(C(=O)O)CC2)n1C
InChIInChI=1S/C11H18N4O2/c1-8-12-13-10(14(8)2)7-15-5-3-9(4-6-15)11(16)17/h9H,3-7H2,1-2H3,(H,16,17)
InChIKeyKVEJQWOIHYAJPT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.42
Rot. Bonds3

About 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 43524950) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid
PubChem CID43524950
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1nnc(CN2CCC(C(=O)O)CC2)n1C
InChIInChI=1S/C11H18N4O2/c1-8-12-13-10(14(8)2)7-15-5-3-9(4-6-15)11(16)17/h9H,3-7H2,1-2H3,(H,16,17)
InChIKeyKVEJQWOIHYAJPT-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid (CID 43524950) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid is Cc1nnc(CN2CCC(C(=O)O)CC2)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is KVEJQWOIHYAJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-12-13-10(14(8)2)7-15-5-3-9(4-6-15)11(16)17/h9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43524950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).