N-(2-ethoxyphenyl)-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine-1-carboxamide

• ChemBase ID: 316990
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: c1(n(ccn1)C(C)C)C1CN(C(=O)Nc2c(OCC)cccc2)CCC1
• Canonical SMILES: CCOc1ccccc1NC(=O)N1CCCC(C1)c1nccn1C(C)C
• InChI: InChI=1S/C20H28N4O2/c1-4-26-18-10-6-5-9-17(18)22-20(25)23-12-7-8-16(14-23)19-21-11-13-24(19)15(2)3/h5-6,9-11,13,15-16H,4,7-8,12,14H2,1-3H3,(H,22,25)
• InChIKey: MWGOFZVJDRTTMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyphenyl)-3-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-ethoxyphenyl)-3-(1-isopropylimidazol-2-yl)piperidine-1-carboxamide
• Synonyms: N-(2-ethoxyphenyl)-3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.876041
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.29609
• LogD (pH = 7.4): 2.9237394
• Log P: 2.9511628
• Molar Refractivity: 103.7047 cm^3
• Polarizability: 39.19225 Å^3
• Polar Surface Area: 59.39 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: 2.41
• LOG S: -3.86
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5