N-cyclopropyl-2-{3-[2-(2-methylphenyl)ethyl]piperidin-1-yl}acetamide

• ChemBase ID: 327541
• Molecular Formular: C19H28N2O
• Molecular Mass: 300.43842
• Monoisotopic Mass: 300.22016353
• SMILES: N1(CC(=O)NC2CC2)CC(CCc2c(C)cccc2)CCC1
• Canonical SMILES: O=C(NC1CC1)CN1CCCC(C1)CCc1ccccc1C
• InChI: InChI=1S/C19H28N2O/c1-15-5-2-3-7-17(15)9-8-16-6-4-12-21(13-16)14-19(22)20-18-10-11-18/h2-3,5,7,16,18H,4,6,8-14H2,1H3,(H,20,22)
• InChIKey: QBIQECBIJLHUFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.603136
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.61391836
• LogD (pH = 7.4): 2.3871186
• Log P: 3.3021524
• Molar Refractivity: 90.9546 cm^3
• Polarizability: 35.40741 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.0
• LOG S: -4.81
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6