2-{[1-(4-methoxyphenyl)piperidin-4-yl](methyl)amino}-N,N-dimethylpropanamide

• ChemBase ID: 781607
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: C(=O)(C(N(C1CCN(c2ccc(cc2)OC)CC1)C)C)N(C)C
• Canonical SMILES: COc1ccc(cc1)N1CCC(CC1)N(C(C(=O)N(C)C)C)C
• InChI: InChI=1S/C18H29N3O2/c1-14(18(22)19(2)3)20(4)15-10-12-21(13-11-15)16-6-8-17(23-5)9-7-16/h6-9,14-15H,10-13H2,1-5H3
• InChIKey: OMLXJDKUADOWAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[1-(4-methoxyphenyl)piperidin-4-yl](methyl)amino}-N,N-dimethylpropanamide
• IUPAC Traditional name: 2-{[1-(4-methoxyphenyl)piperidin-4-yl](methyl)amino}-N,N-dimethylpropanamide
• Synonyms: 2-[[1-(4-methoxyphenyl)piperidin-4-yl](methyl)amino]-N,N-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.237591
• LogD (pH = 7.4): 0.54991007
• Log P: 1.6375816
• Molar Refractivity: 94.595 cm^3
• Polarizability: 36.24764 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.28
• LOG S: -3.48
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 5