1-ethyl-N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-2-carboxamide

• ChemBase ID: 332653
• Molecular Formular: C18H27FN2O2
• Molecular Mass: 322.4175832
• Monoisotopic Mass: 322.20565633
• SMILES: C(=O)(N(Cc1c(F)cccc1)CCOC)C1N(CC)CCCC1
• Canonical SMILES: COCCN(C(=O)C1CCCCN1CC)Cc1ccccc1F
• InChI: InChI=1S/C18H27FN2O2/c1-3-20-11-7-6-10-17(20)18(22)21(12-13-23-2)14-15-8-4-5-9-16(15)19/h4-5,8-9,17H,3,6-7,10-14H2,1-2H3
• InChIKey: XZBCNFJXIWYSCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
• IUPAC Traditional name: 1-ethyl-N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
• Synonyms: 1-ethyl-N-(2-fluorobenzyl)-N-(2-methoxyethyl)piperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2677962
• LogD (pH = 7.4): 1.999319
• Log P: 2.547892
• Molar Refractivity: 90.1967 cm^3
• Polarizability: 34.779915 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.66
• LOG S: -3.82
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7