N-(1-cyclopropanecarbonylpiperidin-3-yl)-2-(naphthalen-2-yloxy)acetamide

• ChemBase ID: 543699
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: N1(C(=O)C2CC2)CC(NC(=O)COc2cc3c(cc2)cccc3)CCC1
• Canonical SMILES: O=C(NC1CCCN(C1)C(=O)C1CC1)COc1ccc2c(c1)cccc2
• InChI: InChI=1S/C21H24N2O3/c24-20(14-26-19-10-9-15-4-1-2-5-17(15)12-19)22-18-6-3-11-23(13-18)21(25)16-7-8-16/h1-2,4-5,9-10,12,16,18H,3,6-8,11,13-14H2,(H,22,24)
• InChIKey: ZADBDDRGGPJHPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopropanecarbonylpiperidin-3-yl)-2-(naphthalen-2-yloxy)acetamide
• IUPAC Traditional name: N-(1-cyclopropanecarbonylpiperidin-3-yl)-2-(naphthalen-2-yloxy)acetamide
• Synonyms: N-[1-(cyclopropylcarbonyl)piperidin-3-yl]-2-(2-naphthyloxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.129248
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1906674
• LogD (pH = 7.4): 2.1906676
• Log P: 2.1906676
• Molar Refractivity: 98.6756 cm^3
• Polarizability: 39.723137 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.67
• LOG S: -4.05
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5