3-[(1-cycloheptylpiperidin-4-yl)oxy]-N-cyclopropyl-4-methoxybenzamide

• ChemBase ID: 527771
• Molecular Formular: C23H34N2O3
• Molecular Mass: 386.52766
• Monoisotopic Mass: 386.25694296
• SMILES: C(=O)(NC1CC1)c1cc(OC2CCN(CC2)C2CCCCCC2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C1CCCCCC1)C(=O)NC1CC1
• InChI: InChI=1S/C23H34N2O3/c1-27-21-11-8-17(23(26)24-18-9-10-18)16-22(21)28-20-12-14-25(15-13-20)19-6-4-2-3-5-7-19/h8,11,16,18-20H,2-7,9-10,12-15H2,1H3,(H,24,26)
• InChIKey: ZZNJGNUOBOMOPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-cycloheptylpiperidin-4-yl)oxy]-N-cyclopropyl-4-methoxybenzamide
• IUPAC Traditional name: 3-[(1-cycloheptylpiperidin-4-yl)oxy]-N-cyclopropyl-4-methoxybenzamide
• Synonyms: 3-[(1-cycloheptyl-4-piperidinyl)oxy]-N-cyclopropyl-4-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.807406
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.029490205
• LogD (pH = 7.4): 1.0888683
• Log P: 3.4684296
• Molar Refractivity: 111.237 cm^3
• Polarizability: 43.31712 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.48
• LOG S: -4.81
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5