N-(5-chloro-2-methoxyphenyl)-2-[2-(1H-imidazol-1-yl)ethyl]piperidine-1-carboxamide

• ChemBase ID: 478416
• Molecular Formular: C18H23ClN4O2
• Molecular Mass: 362.85382
• Monoisotopic Mass: 362.15095368
• SMILES: C(=O)(N1C(CCn2cncc2)CCCC1)Nc1cc(ccc1OC)Cl
• Canonical SMILES: COc1ccc(cc1NC(=O)N1CCCCC1CCn1cncc1)Cl
• InChI: InChI=1S/C18H23ClN4O2/c1-25-17-6-5-14(19)12-16(17)21-18(24)23-9-3-2-4-15(23)7-10-22-11-8-20-13-22/h5-6,8,11-13,15H,2-4,7,9-10H2,1H3,(H,21,24)
• InChIKey: ZJIXRQIRDPXJFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.6886
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1153286
• LogD (pH = 7.4): 2.57948
• Log P: 2.6481562
• Molar Refractivity: 99.2772 cm^3
• Polarizability: 37.478977 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: 2.75
• LOG S: -4.19
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5