3-[(1-cyclohexylpiperidin-4-yl)oxy]-N-(2-phenylethyl)benzamide

• ChemBase ID: 430852
• Molecular Formular: C26H34N2O2
• Molecular Mass: 406.56036
• Monoisotopic Mass: 406.26202834
• SMILES: N1(CCC(Oc2cc(C(=O)NCCc3ccccc3)ccc2)CC1)C1CCCCC1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C1CCCCC1)NCCc1ccccc1
• InChI: InChI=1S/C26H34N2O2/c29-26(27-17-14-21-8-3-1-4-9-21)22-10-7-13-25(20-22)30-24-15-18-28(19-16-24)23-11-5-2-6-12-23/h1,3-4,7-10,13,20,23-24H,2,5-6,11-12,14-19H2,(H,27,29)
• InChIKey: PUWPNCJSFLFIAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-cyclohexylpiperidin-4-yl)oxy]-N-(2-phenylethyl)benzamide
• IUPAC Traditional name: 3-[(1-cyclohexylpiperidin-4-yl)oxy]-N-(2-phenylethyl)benzamide
• Synonyms: 3-[(1-cyclohexyl-4-piperidinyl)oxy]-N-(2-phenylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.597247
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3060095
• LogD (pH = 7.4): 2.448269
• Log P: 4.7291017
• Molar Refractivity: 122.3292 cm^3
• Polarizability: 47.459473 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.99
• LOG S: -6.34
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7