4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(3-phenylpropyl)benzamide

• ChemBase ID: 556100
• Molecular Formular: C25H30N2O3
• Molecular Mass: 406.5173
• Monoisotopic Mass: 406.22564283
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCCCc2ccccc2)cc1)C1CC1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1)NCCCc1ccccc1
• InChI: InChI=1S/C25H30N2O3/c28-24(26-16-4-7-19-5-2-1-3-6-19)20-10-12-22(13-11-20)30-23-14-17-27(18-15-23)25(29)21-8-9-21/h1-3,5-6,10-13,21,23H,4,7-9,14-18H2,(H,26,28)
• InChIKey: APZOLJPWWXZAOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(3-phenylpropyl)benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(3-phenylpropyl)benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-(3-phenylpropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.064193
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.38109
• LogD (pH = 7.4): 3.3810906
• Log P: 3.3810906
• Molar Refractivity: 117.5864 cm^3
• Polarizability: 45.278202 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.55
• LOG S: -6.17
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8