3-(1-ethyl-1H-imidazol-2-yl)-1-(3-phenylbenzoyl)piperidine

• ChemBase ID: 497961
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: c1(C2CN(C(=O)c3cc(c4ccccc4)ccc3)CCC2)n(ccn1)CC
• Canonical SMILES: CCn1ccnc1C1CCCN(C1)C(=O)c1cccc(c1)c1ccccc1
• InChI: InChI=1S/C23H25N3O/c1-2-25-15-13-24-22(25)21-12-7-14-26(17-21)23(27)20-11-6-10-19(16-20)18-8-4-3-5-9-18/h3-6,8-11,13,15-16,21H,2,7,12,14,17H2,1H3
• InChIKey: SWCNEWKHFIZEQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-ethyl-1H-imidazol-2-yl)-1-(3-phenylbenzoyl)piperidine
• IUPAC Traditional name: 3-(1-ethylimidazol-2-yl)-1-(3-phenylbenzoyl)piperidine
• Synonyms: 1-(3-biphenylylcarbonyl)-3-(1-ethyl-1H-imidazol-2-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.260333
• LogD (pH = 7.4): 3.9001007
• Log P: 3.929152
• Molar Refractivity: 108.749 cm^3
• Polarizability: 42.642223 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: 2.91
• LOG S: -4.31
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 4