4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(2-phenylpropyl)benzamide

• ChemBase ID: 571337
• Molecular Formular: C25H30N2O3
• Molecular Mass: 406.5173
• Monoisotopic Mass: 406.22564283
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCC(c2ccccc2)C)cc1)C1CC1
• Canonical SMILES: CC(c1ccccc1)CNC(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C25H30N2O3/c1-18(19-5-3-2-4-6-19)17-26-24(28)20-9-11-22(12-10-20)30-23-13-15-27(16-14-23)25(29)21-7-8-21/h2-6,9-12,18,21,23H,7-8,13-17H2,1H3,(H,26,28)
• InChIKey: KBLVKOWZSKRGLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(2-phenylpropyl)benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(2-phenylpropyl)benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-(2-phenylpropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.056058
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3014941
• LogD (pH = 7.4): 3.3014948
• Log P: 3.3014948
• Molar Refractivity: 117.457 cm^3
• Polarizability: 45.277584 Å^3
• Polar Surface Area: 58.64 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: 2.57
• LOG S: -5.87
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7