2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide

• ChemBase ID: 581278
• Molecular Formular: C21H25FN2O3
• Molecular Mass: 372.4332032
• Monoisotopic Mass: 372.18492089
• SMILES: C(=O)(N1C(c2ccc(cc2)F)CCCC1)Nc1c(OCCOC)cccc1
• Canonical SMILES: COCCOc1ccccc1NC(=O)N1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C21H25FN2O3/c1-26-14-15-27-20-8-3-2-6-18(20)23-21(25)24-13-5-4-7-19(24)16-9-11-17(22)12-10-16/h2-3,6,8-12,19H,4-5,7,13-15H2,1H3,(H,23,25)
• InChIKey: NRBFTTZSMXONHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
• Synonyms: 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.836387
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.897424
• LogD (pH = 7.4): 3.8974092
• Log P: 3.8974242
• Molar Refractivity: 103.539 cm^3
• Polarizability: 39.1335 Å^3
• Polar Surface Area: 50.8 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: 3.09
• LOG S: -4.55
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6