N-(2,5-dimethoxyphenyl)-2-[2-(1H-imidazol-1-yl)ethyl]piperidine-1-carboxamide

• ChemBase ID: 819342
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: C(=O)(N1C(CCn2cncc2)CCCC1)Nc1cc(ccc1OC)OC
• Canonical SMILES: COc1ccc(cc1NC(=O)N1CCCCC1CCn1cncc1)OC
• InChI: InChI=1S/C19H26N4O3/c1-25-16-6-7-18(26-2)17(13-16)21-19(24)23-10-4-3-5-15(23)8-11-22-12-9-20-14-22/h6-7,9,12-15H,3-5,8,10-11H2,1-2H3,(H,21,24)
• InChIKey: FNTZTUUZHPXADE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dimethoxyphenyl)-2-[2-(1H-imidazol-1-yl)ethyl]piperidine-1-carboxamide
• IUPAC Traditional name: N-(2,5-dimethoxyphenyl)-2-[2-(imidazol-1-yl)ethyl]piperidine-1-carboxamide
• Synonyms: N-(2,5-dimethoxyphenyl)-2-[2-(1H-imidazol-1-yl)ethyl]-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.636505
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3536125
• LogD (pH = 7.4): 1.8177613
• Log P: 1.8864402
• Molar Refractivity: 100.9356 cm^3
• Polarizability: 38.122044 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.1
• LOG S: -3.61
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 6