methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate

C13H21N3O2 — CID 113330911

IUPACmethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CCn1ccnc1C
InChIInChI=1S/C13H21N3O2/c1-11-14-6-8-15(11)9-10-16-7-4-3-5-12(16)13(17)18-2/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyMBBLPQKCXRMKQR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.22
Rot. Bonds4

About methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate

methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate (PubChem CID 113330911) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
PubChem CID113330911
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CCn1ccnc1C
InChIInChI=1S/C13H21N3O2/c1-11-14-6-8-15(11)9-10-16-7-4-3-5-12(16)13(17)18-2/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyMBBLPQKCXRMKQR-UHFFFAOYSA-N
XLogP1.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-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-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62028229
methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
CID 78990366
methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate
CID 115536883
2-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 62020294
(2R)-N,N-dimethyl-1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 97009294
methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate
CID 115279155
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
CID 54569237
ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
CID 62026889
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
CID 80711675
N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 56786115

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate (CID 113330911) is methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1CCn1ccnc1C.
What is the InChIKey of methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate?
The InChIKey is MBBLPQKCXRMKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11-14-6-8-15(11)9-10-16-7-4-3-5-12(16)13(17)18-2/h6,8,12H,3-5,7,9-10H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate?
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 113330911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).