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

• ChemBase ID: 846478
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: N1(C(=O)C(n2cncc2)C)CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: O=C(C(n1cncc1)C)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H25N3O/c1-19(26-16-14-24-18-26)22(27)25-15-8-13-23(17-25,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14,16,18-19H,8,13,15,17H2,1H3
• InChIKey: HGDQGTILLGPFST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,3-diphenylpiperidin-1-yl)-2-(1H-imidazol-1-yl)propan-1-one
• IUPAC Traditional name: 1-(3,3-diphenylpiperidin-1-yl)-2-(imidazol-1-yl)propan-1-one
• Synonyms: 1-[2-(1H-imidazol-1-yl)propanoyl]-3,3-diphenylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.106371
• LogD (pH = 7.4): 3.5703173
• Log P: 3.6265566
• Molar Refractivity: 117.7997 cm^3
• Polarizability: 41.558437 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: 3.82
• LOG S: -5.64
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4