N-(1-cyclopropanecarbonylpiperidin-3-yl)-2-(3-methoxyphenyl)acetamide

• ChemBase ID: 313532
• Molecular Formular: C18H24N2O3
• Molecular Mass: 316.39476
• Monoisotopic Mass: 316.17869264
• SMILES: N1(C(=O)C2CC2)CC(NC(=O)Cc2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)CC(=O)NC1CCCN(C1)C(=O)C1CC1
• InChI: InChI=1S/C18H24N2O3/c1-23-16-6-2-4-13(10-16)11-17(21)19-15-5-3-9-20(12-15)18(22)14-7-8-14/h2,4,6,10,14-15H,3,5,7-9,11-12H2,1H3,(H,19,21)
• InChIKey: INVRDUGMQCZFMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.435726
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3609557
• LogD (pH = 7.4): 1.360956
• Log P: 1.360956
• Molar Refractivity: 87.4484 cm^3
• Polarizability: 34.066715 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: 0.87
• LOG S: -2.25
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5