methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate

C11H18N4O2 — CID 167180511

IUPACmethyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1(c2cn(C)nn2)CCCN(C)C1
InChIInChI=1S/C11H18N4O2/c1-14-6-4-5-11(8-14,10(16)17-3)9-7-15(2)13-12-9/h7H,4-6,8H2,1-3H3
InChIKeySWTIKORAOJAETN-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.05
Rot. Bonds2

About methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate

methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate (PubChem CID 167180511) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate
PubChem CID167180511
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)C1(c2cn(C)nn2)CCCN(C)C1
InChIInChI=1S/C11H18N4O2/c1-14-6-4-5-11(8-14,10(16)17-3)9-7-15(2)13-12-9/h7H,4-6,8H2,1-3H3
InChIKeySWTIKORAOJAETN-UHFFFAOYSA-N
XLogP-0.05
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate 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 methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate (CID 167180511) is methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate is COC(=O)C1(c2cn(C)nn2)CCCN(C)C1.
What is the InChIKey of methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate?
The InChIKey is SWTIKORAOJAETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-6-4-5-11(8-14,10(16)17-3)9-7-15(2)13-12-9/h7H,4-6,8H2,1-3H3.
What are the key properties of methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate?
methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-(1-methyltriazol-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 167180511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).