1-[4-(1H-imidazol-1-yl)benzoyl]-3-(3-methylphenyl)piperidine

• ChemBase ID: 730334
• Molecular Formular: C22H23N3O
• Molecular Mass: 345.43752
• Monoisotopic Mass: 345.18411237
• SMILES: N1(C(=O)c2ccc(n3cncc3)cc2)CC(c2cc(ccc2)C)CCC1
• Canonical SMILES: Cc1cccc(c1)C1CCCN(C1)C(=O)c1ccc(cc1)n1cncc1
• InChI: InChI=1S/C22H23N3O/c1-17-4-2-5-19(14-17)20-6-3-12-24(15-20)22(26)18-7-9-21(10-8-18)25-13-11-23-16-25/h2,4-5,7-11,13-14,16,20H,3,6,12,15H2,1H3
• InChIKey: SNICEDSHEAWPKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(1H-imidazol-1-yl)benzoyl]-3-(3-methylphenyl)piperidine
• IUPAC Traditional name: 1-[4-(imidazol-1-yl)benzoyl]-3-(3-methylphenyl)piperidine
• Synonyms: 1-[4-(1H-imidazol-1-yl)benzoyl]-3-(3-methylphenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.421629
• LogD (pH = 7.4): 3.8644183
• Log P: 3.896967
• Molar Refractivity: 114.628 cm^3
• Polarizability: 40.108135 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.22
• LOG S: -4.47
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3