(3-{2-[1-(3-ethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}propyl)dimethylamine

• ChemBase ID: 632808
• Molecular Formular: C22H32N4O2
• Molecular Mass: 384.51508
• Monoisotopic Mass: 384.25252628
• SMILES: c1(C2CN(C(=O)c3cc(OCC)ccc3)CCC2)n(ccn1)CCCN(C)C
• Canonical SMILES: CCOc1cccc(c1)C(=O)N1CCCC(C1)c1nccn1CCCN(C)C
• InChI: InChI=1S/C22H32N4O2/c1-4-28-20-10-5-8-18(16-20)22(27)26-13-6-9-19(17-26)21-23-11-15-25(21)14-7-12-24(2)3/h5,8,10-11,15-16,19H,4,6-7,9,12-14,17H2,1-3H3
• InChIKey: UWWSXTGAQIBALD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{2-[1-(3-ethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}propyl)dimethylamine
• IUPAC Traditional name: (3-{2-[1-(3-ethoxybenzoyl)piperidin-3-yl]imidazol-1-yl}propyl)dimethylamine
• Synonyms: (3-{2-[1-(3-ethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}propyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.880417
• LogD (pH = 7.4): -0.06698942
• Log P: 2.2028596
• Molar Refractivity: 112.9605 cm^3
• Polarizability: 43.057823 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.09
• LOG S: -3.79
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 8