3-(1-ethyl-1H-imidazol-2-yl)-N-(4-methylphenyl)piperidine-1-carboxamide

• ChemBase ID: 627439
• Molecular Formular: C18H24N4O
• Molecular Mass: 312.40936
• Monoisotopic Mass: 312.19501141
• SMILES: c1(C2CN(C(=O)Nc3ccc(cc3)C)CCC2)n(ccn1)CC
• Canonical SMILES: CCn1ccnc1C1CCCN(C1)C(=O)Nc1ccc(cc1)C
• InChI: InChI=1S/C18H24N4O/c1-3-21-12-10-19-17(21)15-5-4-11-22(13-15)18(23)20-16-8-6-14(2)7-9-16/h6-10,12,15H,3-5,11,13H2,1-2H3,(H,20,23)
• InChIKey: DIJRHAPTRQFOFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-ethyl-1H-imidazol-2-yl)-N-(4-methylphenyl)piperidine-1-carboxamide
• IUPAC Traditional name: 3-(1-ethylimidazol-2-yl)-N-(4-methylphenyl)piperidine-1-carboxamide
• Synonyms: 3-(1-ethyl-1H-imidazol-2-yl)-N-(4-methylphenyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.792995
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1800606
• LogD (pH = 7.4): 2.8198218
• Log P: 2.8488724
• Molar Refractivity: 93.1153 cm^3
• Polarizability: 34.752846 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.09
• LOG S: -3.26
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3