3,4-dimethoxy-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide

• ChemBase ID: 657202
• Molecular Formular: C23H30N2O3
• Molecular Mass: 382.4959
• Monoisotopic Mass: 382.22564283
• SMILES: C(=O)(N(C1CN(CCc2ccccc2)CCC1)C)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C(=O)N(C1CCCN(C1)CCc1ccccc1)C
• InChI: InChI=1S/C23H30N2O3/c1-24(23(26)19-11-12-21(27-2)22(16-19)28-3)20-10-7-14-25(17-20)15-13-18-8-5-4-6-9-18/h4-6,8-9,11-12,16,20H,7,10,13-15,17H2,1-3H3
• InChIKey: LOYJGYOKAXSGPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethoxy-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
• IUPAC Traditional name: 3,4-dimethoxy-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
• Synonyms: 3,4-dimethoxy-N-methyl-N-[1-(2-phenylethyl)-3-piperidinyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5780252
• LogD (pH = 7.4): 2.329302
• Log P: 3.4532392
• Molar Refractivity: 112.4541 cm^3
• Polarizability: 43.245293 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.68
• LOG S: -3.3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5