2-[(1-benzylpiperidin-4-yl)oxy]-N-cyclopropyl-4-methoxybenzamide

• ChemBase ID: 386129
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: c1(C(=O)NC2CC2)c(cc(cc1)OC)OC1CCN(Cc2ccccc2)CC1
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)Cc1ccccc1)C(=O)NC1CC1
• InChI: InChI=1S/C23H28N2O3/c1-27-20-9-10-21(23(26)24-18-7-8-18)22(15-20)28-19-11-13-25(14-12-19)16-17-5-3-2-4-6-17/h2-6,9-10,15,18-19H,7-8,11-14,16H2,1H3,(H,24,26)
• InChIKey: SBDYIPYWUNIVMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-benzylpiperidin-4-yl)oxy]-N-cyclopropyl-4-methoxybenzamide
• IUPAC Traditional name: 2-[(1-benzylpiperidin-4-yl)oxy]-N-cyclopropyl-4-methoxybenzamide
• Synonyms: 2-[(1-benzyl-4-piperidinyl)oxy]-N-cyclopropyl-4-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.3357725
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.064087056
• LogD (pH = 7.4): 1.8132814
• Log P: 2.9490635
• Molar Refractivity: 110.2344 cm^3
• Polarizability: 42.589924 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.22
• LOG S: -4.42
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6