(2-{2-[1-(3-methoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}ethyl)dimethylamine

• ChemBase ID: 632804
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: c1(C2CN(C(=O)c3cc(OC)ccc3)CCC2)n(ccn1)CCN(C)C
• Canonical SMILES: COc1cccc(c1)C(=O)N1CCCC(C1)c1nccn1CCN(C)C
• InChI: InChI=1S/C20H28N4O2/c1-22(2)12-13-23-11-9-21-19(23)17-7-5-10-24(15-17)20(25)16-6-4-8-18(14-16)26-3/h4,6,8-9,11,14,17H,5,7,10,12-13,15H2,1-3H3
• InChIKey: QDWMBLYAHBCUAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6986899
• LogD (pH = 7.4): 0.25678286
• Log P: 1.7860919
• Molar Refractivity: 103.3465 cm^3
• Polarizability: 39.3751 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.35
• LOG S: -2.95
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6