1-(4-ethoxybenzoyl)-2-[2-(1H-imidazol-1-yl)ethyl]piperidine

• ChemBase ID: 444063
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: N1(C(=O)c2ccc(cc2)OCC)C(CCn2cncc2)CCCC1
• Canonical SMILES: CCOc1ccc(cc1)C(=O)N1CCCCC1CCn1cncc1
• InChI: InChI=1S/C19H25N3O2/c1-2-24-18-8-6-16(7-9-18)19(23)22-12-4-3-5-17(22)10-13-21-14-11-20-15-21/h6-9,11,14-15,17H,2-5,10,12-13H2,1H3
• InChIKey: GVNUZAWGSGLUAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-ethoxybenzoyl)-2-[2-(1H-imidazol-1-yl)ethyl]piperidine
• IUPAC Traditional name: 1-(4-ethoxybenzoyl)-2-[2-(imidazol-1-yl)ethyl]piperidine
• Synonyms: 1-(4-ethoxybenzoyl)-2-[2-(1H-imidazol-1-yl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8145673
• LogD (pH = 7.4): 2.27874
• Log P: 2.3473947
• Molar Refractivity: 94.7597 cm^3
• Polarizability: 36.08737 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.32
• LOG S: -3.57
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6