1-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide

• ChemBase ID: 640110
• Molecular Formular: C19H26N2O4
• Molecular Mass: 346.42074
• Monoisotopic Mass: 346.18925732
• SMILES: N1(CC(C(=O)NCCc2c(cc(cc2)OC)OC)CCC1=O)C1CC1
• Canonical SMILES: COc1cc(OC)ccc1CCNC(=O)C1CCC(=O)N(C1)C1CC1
• InChI: InChI=1S/C19H26N2O4/c1-24-16-7-3-13(17(11-16)25-2)9-10-20-19(23)14-4-8-18(22)21(12-14)15-5-6-15/h3,7,11,14-15H,4-6,8-10,12H2,1-2H3,(H,20,23)
• InChIKey: AGFMJFNBRZIJKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
• Synonyms: 1-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.429305
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.047377
• LogD (pH = 7.4): 1.0473772
• Log P: 1.0473772
• Molar Refractivity: 94.0656 cm^3
• Polarizability: 36.599777 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.41
• LOG S: -2.6
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5