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

• ChemBase ID: 711157
• Molecular Formular: C26H32N2O3
• Molecular Mass: 420.54388
• Monoisotopic Mass: 420.24129289
• SMILES: N1(C(=O)C2CCCC2)CCC(CC1)Oc1ccc(C(=O)NCCc2ccccc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)C(=O)C1CCCC1)NCCc1ccccc1
• InChI: InChI=1S/C26H32N2O3/c29-25(27-17-14-20-6-2-1-3-7-20)21-10-12-23(13-11-21)31-24-15-18-28(19-16-24)26(30)22-8-4-5-9-22/h1-3,6-7,10-13,22,24H,4-5,8-9,14-19H2,(H,27,29)
• InChIKey: VUXDYUSHJPCJDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.059774
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8256583
• LogD (pH = 7.4): 3.8256593
• Log P: 3.8256593
• Molar Refractivity: 122.1874 cm^3
• Polarizability: 47.12034 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: 3.29
• LOG S: -6.29
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7