N-[(2-methoxyphenyl)methyl]-3-(piperidin-1-yl)-N-propylpropanamide

• ChemBase ID: 599627
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: C(=O)(N(Cc1c(OC)cccc1)CCC)CCN1CCCCC1
• Canonical SMILES: CCCN(C(=O)CCN1CCCCC1)Cc1ccccc1OC
• InChI: InChI=1S/C19H30N2O2/c1-3-12-21(16-17-9-5-6-10-18(17)23-2)19(22)11-15-20-13-7-4-8-14-20/h5-6,9-10H,3-4,7-8,11-16H2,1-2H3
• InChIKey: DJFPQBDBCLPWQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-3-(piperidin-1-yl)-N-propylpropanamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-3-(piperidin-1-yl)-N-propylpropanamide
• Synonyms: N-(2-methoxybenzyl)-3-piperidin-1-yl-N-propylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.4853301
• LogD (pH = 7.4): 0.9391429
• Log P: 2.8420734
• Molar Refractivity: 94.8781 cm^3
• Polarizability: 36.952873 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.82
• LOG S: -4.79
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8