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

• ChemBase ID: 753336
• Molecular Formular: C25H30N2O3
• Molecular Mass: 406.5173
• Monoisotopic Mass: 406.22564283
• SMILES: N1(C(=O)C2CCC2)CCC(CC1)Oc1ccc(C(=O)NCCc2ccccc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)C1CCC1)NCCc1ccccc1
• InChI: InChI=1S/C25H30N2O3/c28-24(26-16-13-19-5-2-1-3-6-19)20-9-11-22(12-10-20)30-23-14-17-27(18-15-23)25(29)21-7-4-8-21/h1-3,5-6,9-12,21,23H,4,7-8,13-18H2,(H,26,28)
• InChIKey: RUCRSIKHPOMCPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclobutanecarbonylpiperidin-4-yl)oxy]-N-(2-phenylethyl)benzamide
• IUPAC Traditional name: 4-[(1-cyclobutanecarbonylpiperidin-4-yl)oxy]-N-(2-phenylethyl)benzamide
• Synonyms: 4-{[1-(cyclobutylcarbonyl)-4-piperidinyl]oxy}-N-(2-phenylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.059774
• 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: 45.27803 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: 2.73
• LOG S: -6.03
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7