N4-[3-(3-fluorophenyl)phenyl]-N1-(2-methoxyethyl)piperidine-1,4-dicarboxamide

• ChemBase ID: 676762
• Molecular Formular: C22H26FN3O3
• Molecular Mass: 399.4585432
• Monoisotopic Mass: 399.19581993
• SMILES: C(=O)(N1CCC(C(=O)Nc2cc(c3cc(F)ccc3)ccc2)CC1)NCCOC
• Canonical SMILES: COCCNC(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)c1cccc(c1)F
• InChI: InChI=1S/C22H26FN3O3/c1-29-13-10-24-22(28)26-11-8-16(9-12-26)21(27)25-20-7-3-5-18(15-20)17-4-2-6-19(23)14-17/h2-7,14-16H,8-13H2,1H3,(H,24,28)(H,25,27)
• InChIKey: FBIKZVOSVPXBGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-[3-(3-fluorophenyl)phenyl]-N1-(2-methoxyethyl)piperidine-1,4-dicarboxamide
• IUPAC Traditional name: N4-[3-(3-fluorophenyl)phenyl]-N1-(2-methoxyethyl)piperidine-1,4-dicarboxamide
• Synonyms: N~4~-(3'-fluorobiphenyl-3-yl)-N~1~-(2-methoxyethyl)piperidine-1,4-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.860993
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5575585
• LogD (pH = 7.4): 2.5575585
• Log P: 2.5575588
• Molar Refractivity: 110.888 cm^3
• Polarizability: 42.84495 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.94
• LOG S: -4.62
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 6