methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate

C10H16N4O2 — CID 115034482

IUPACmethyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
SMILESCOC(=O)c1cn(CC2CCNCC2)nn1
InChIInChI=1S/C10H16N4O2/c1-16-10(15)9-7-14(13-12-9)6-8-2-4-11-5-3-8/h7-8,11H,2-6H2,1H3
InChIKeyGRQPCCBHJMAPGS-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.06
Rot. Bonds3

About methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate

methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate (PubChem CID 115034482) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
PubChem CID115034482
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namemethyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
SMILESCOC(=O)c1cn(CC2CCNCC2)nn1
InChIInChI=1S/C10H16N4O2/c1-16-10(15)9-7-14(13-12-9)6-8-2-4-11-5-3-8/h7-8,11H,2-6H2,1H3
InChIKeyGRQPCCBHJMAPGS-UHFFFAOYSA-N
XLogP0.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
methyl 1-[(5-oxooxolan-2-yl)methyl]triazole-4-carboxylate
CID 15486780
methyl 1-[(3S)-pyrrolidin-3-yl]triazole-4-carboxylate
CID 97297705
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)triazole-4-carboxylate
CID 102846929
methyl 1-(2,2-dimethylpropyl)triazole-4-carboxylate
CID 58459637
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine
CID 121208781
1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide
CID 163349645
3-(4-methoxycarbonyltriazol-1-yl)propanoic acid
CID 83831589
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]triazole-4-carboxylate
CID 122241136
methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxylate
CID 103107571

Frequently Asked Questions

What is the IUPAC name of methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate?
The IUPAC name of methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate (CID 115034482) is methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate.
What is the SMILES notation for methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate?
The canonical SMILES for methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate is COC(=O)c1cn(CC2CCNCC2)nn1.
What is the InChIKey of methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate?
The InChIKey is GRQPCCBHJMAPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-16-10(15)9-7-14(13-12-9)6-8-2-4-11-5-3-8/h7-8,11H,2-6H2,1H3.
What are the key properties of methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate?
methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate is sourced from PubChem (CID 115034482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).