3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-1-carboxamide

• ChemBase ID: 771788
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(n(ccn1)CC1CCC1)C1CN(C(=O)NCc2occc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)c1nccn1CC1CCC1)NCc1ccco1
• InChI: InChI=1S/C19H26N4O2/c24-19(21-12-17-7-3-11-25-17)23-9-2-6-16(14-23)18-20-8-10-22(18)13-15-4-1-5-15/h3,7-8,10-11,15-16H,1-2,4-6,9,12-14H2,(H,21,24)
• InChIKey: FTJZSDPDQRVQQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-1-carboxamide
• IUPAC Traditional name: 3-[1-(cyclobutylmethyl)imidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-1-carboxamide
• Synonyms: 3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-N-(2-furylmethyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.567455
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3043102
• LogD (pH = 7.4): 1.9421579
• Log P: 1.9709405
• Molar Refractivity: 95.3136 cm^3
• Polarizability: 36.515556 Å^3
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.06
• LOG S: -3.46
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 5