1-(2-methoxyethyl)-6-oxo-N-(1-phenylcyclopropyl)piperidine-3-carboxamide

• ChemBase ID: 544922
• Molecular Formular: C18H24N2O3
• Molecular Mass: 316.39476
• Monoisotopic Mass: 316.17869264
• SMILES: C1(NC(=O)C2CN(C(=O)CC2)CCOC)(CC1)c1ccccc1
• Canonical SMILES: COCCN1CC(CCC1=O)C(=O)NC1(CC1)c1ccccc1
• InChI: InChI=1S/C18H24N2O3/c1-23-12-11-20-13-14(7-8-16(20)21)17(22)19-18(9-10-18)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H,19,22)
• InChIKey: HTSYWZVQZXQGBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-6-oxo-N-(1-phenylcyclopropyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(2-methoxyethyl)-6-oxo-N-(1-phenylcyclopropyl)piperidine-3-carboxamide
• Synonyms: 1-(2-methoxyethyl)-6-oxo-N-(1-phenylcyclopropyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.909323
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.95085156
• LogD (pH = 7.4): 0.9508516
• Log P: 0.95085174
• Molar Refractivity: 87.3173 cm^3
• Polarizability: 34.0816 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: 1.5
• LOG S: -2.5
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5