N-cyclopropyl-3-{1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl}propanamide

• ChemBase ID: 313536
• Molecular Formular: C21H32N2O2
• Molecular Mass: 344.49098
• Monoisotopic Mass: 344.24637827
• SMILES: N1(C(Cc2c(OC)cccc2)C)CCC(CC1)CCC(=O)NC1CC1
• Canonical SMILES: COc1ccccc1CC(N1CCC(CC1)CCC(=O)NC1CC1)C
• InChI: InChI=1S/C21H32N2O2/c1-16(15-18-5-3-4-6-20(18)25-2)23-13-11-17(12-14-23)7-10-21(24)22-19-8-9-19/h3-6,16-17,19H,7-15H2,1-2H3,(H,22,24)
• InChIKey: FDCRTZTWYIAFGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl}propanamide
• Synonyms: N-cyclopropyl-3-{1-[2-(2-methoxyphenyl)-1-methylethyl]-4-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.042736
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.32569206
• LogD (pH = 7.4): 0.9848465
• Log P: 3.0507863
• Molar Refractivity: 101.7258 cm^3
• Polarizability: 39.83336 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.81
• LOG S: -3.56
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7