2-cyclopropyl-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}acetamide

• ChemBase ID: 338632
• Molecular Formular: C17H23FN2O
• Molecular Mass: 290.3757232
• Monoisotopic Mass: 290.17944159
• SMILES: N1(Cc2c(F)cccc2)CC(NC(=O)CC2CC2)CCC1
• Canonical SMILES: O=C(NC1CCCN(C1)Cc1ccccc1F)CC1CC1
• InChI: InChI=1S/C17H23FN2O/c18-16-6-2-1-4-14(16)11-20-9-3-5-15(12-20)19-17(21)10-13-7-8-13/h1-2,4,6,13,15H,3,5,7-12H2,(H,19,21)
• InChIKey: DPLDUOFLBBUBKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}acetamide
• IUPAC Traditional name: 2-cyclopropyl-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}acetamide
• Synonyms: 2-cyclopropyl-N-[1-(2-fluorobenzyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.074318
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7391396
• LogD (pH = 7.4): 2.2703135
• Log P: 2.5131695
• Molar Refractivity: 81.3962 cm^3
• Polarizability: 31.511553 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.96
• LOG S: -2.78
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5