1-[2-(4-chlorophenyl)ethyl]-N-(2-ethoxyethyl)-6-oxopiperidine-3-carboxamide

• ChemBase ID: 507443
• Molecular Formular: C18H25ClN2O3
• Molecular Mass: 352.8557
• Monoisotopic Mass: 352.15537035
• SMILES: N1(C(=O)CCC(C(=O)NCCOCC)C1)CCc1ccc(Cl)cc1
• Canonical SMILES: CCOCCNC(=O)C1CCC(=O)N(C1)CCc1ccc(cc1)Cl
• InChI: InChI=1S/C18H25ClN2O3/c1-2-24-12-10-20-18(23)15-5-8-17(22)21(13-15)11-9-14-3-6-16(19)7-4-14/h3-4,6-7,15H,2,5,8-13H2,1H3,(H,20,23)
• InChIKey: GGNNLAYBJIPKQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.31421
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8110322
• LogD (pH = 7.4): 1.8110323
• Log P: 1.8110323
• Molar Refractivity: 94.5249 cm^3
• Polarizability: 36.696465 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.42
• LOG S: -3.59
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6