N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,3,5-trimethylfuran-2-carboxamide

• ChemBase ID: 562169
• Molecular Formular: C20H25FN2O2
• Molecular Mass: 344.4231032
• Monoisotopic Mass: 344.19000627
• SMILES: c1(C(=O)N(C2CN(Cc3c(F)cccc3)CCC2)C)c(cc(o1)C)C
• Canonical SMILES: Cc1cc(c(o1)C(=O)N(C1CCCN(C1)Cc1ccccc1F)C)C
• InChI: InChI=1S/C20H25FN2O2/c1-14-11-15(2)25-19(14)20(24)22(3)17-8-6-10-23(13-17)12-16-7-4-5-9-18(16)21/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3
• InChIKey: XSPNOTSKTUAMDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,3,5-trimethylfuran-2-carboxamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,3,5-trimethylfuran-2-carboxamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,3,5-trimethyl-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7773335
• LogD (pH = 7.4): 3.2148786
• Log P: 3.3958516
• Molar Refractivity: 97.5709 cm^3
• Polarizability: 36.50423 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.87
• LOG S: -3.69
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4