N-(2-methylprop-2-en-1-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

• ChemBase ID: 362650
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: N1(C(=O)CCC(C(=O)NCC(=C)C)C1)CCCc1ccccc1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCCc1ccccc1)NCC(=C)C
• InChI: InChI=1S/C19H26N2O2/c1-15(2)13-20-19(23)17-10-11-18(22)21(14-17)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,17H,1,6,9-14H2,2H3,(H,20,23)
• InChIKey: ZPNZUUYJMFLRTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylprop-2-en-1-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-(2-methylprop-2-en-1-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• Synonyms: N-(2-methyl-2-propen-1-yl)-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.704223
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3163347
• LogD (pH = 7.4): 2.316335
• Log P: 2.316335
• Molar Refractivity: 91.9737 cm^3
• Polarizability: 35.715748 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.44
• LOG S: -3.53
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7