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

• ChemBase ID: 343986
• Molecular Formular: C24H28N2O3
• Molecular Mass: 392.49072
• Monoisotopic Mass: 392.20999277
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC(c2ccccc2)C)cc1)C1CC1
• Canonical SMILES: CC(c1ccccc1)NC(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C24H28N2O3/c1-17(18-5-3-2-4-6-18)25-23(27)19-9-11-21(12-10-19)29-22-13-15-26(16-14-22)24(28)20-7-8-20/h2-6,9-12,17,20,22H,7-8,13-16H2,1H3,(H,25,27)
• InChIKey: YHGBMLCGNXHROX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.134557
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0644352
• LogD (pH = 7.4): 3.0644357
• Log P: 3.0644357
• Molar Refractivity: 112.6492 cm^3
• Polarizability: 43.43354 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.35
• LOG S: -5.58
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6