1-(3,3-diphenylpiperidin-1-yl)-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one

• ChemBase ID: 428405
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: n1(c(ncc1)C)CC(=O)N1CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)(c1ccccc1)c1ccccc1)Cn1ccnc1C
• InChI: InChI=1S/C23H25N3O/c1-19-24-14-16-25(19)17-22(27)26-15-8-13-23(18-26,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14,16H,8,13,15,17-18H2,1H3
• InChIKey: VYADILXWFODRQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,3-diphenylpiperidin-1-yl)-2-(2-methyl-1H-imidazol-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(3,3-diphenylpiperidin-1-yl)-2-(2-methylimidazol-1-yl)ethanone
• Synonyms: 1-[(2-methyl-1H-imidazol-1-yl)acetyl]-3,3-diphenylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.177526
• LogD (pH = 7.4): 2.962466
• Log P: 3.1808572
• Molar Refractivity: 117.7465 cm^3
• Polarizability: 41.47932 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.56
• LOG S: -5.75
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4