methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate

C15H23N3O2 — CID 97197502

IUPACmethyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1
InChIInChI=1S/C15H23N3O2/c1-20-15(19)18-8-3-6-13(11-18)14-16-7-9-17(14)10-12-4-2-5-12/h7,9,12-13H,2-6,8,10-11H2,1H3/t13-/m0/s1
InChIKeyKDUXJEHIWACXMZ-ZDUSSCGKSA-N
MW277.37 g/mol
LogP2.63
Rot. Bonds3

About methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate

methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 97197502) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate
PubChem CID97197502
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1
InChIInChI=1S/C15H23N3O2/c1-20-15(19)18-8-3-6-13(11-18)14-16-7-9-17(14)10-12-4-2-5-12/h7,9,12-13H,2-6,8,10-11H2,1H3/t13-/m0/s1
InChIKeyKDUXJEHIWACXMZ-ZDUSSCGKSA-N
XLogP2.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-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 (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate (CID 97197502) is methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate is COC(=O)N1CCC[C@H](c2nccn2CC2CCC2)C1.
What is the InChIKey of methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is KDUXJEHIWACXMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-15(19)18-8-3-6-13(11-18)14-16-7-9-17(14)10-12-4-2-5-12/h7,9,12-13H,2-6,8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate?
methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 97197502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).