2-methoxy-N-({1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N-methylacetamide

• ChemBase ID: 858620
• Molecular Formular: C19H30N2O3
• Molecular Mass: 334.4531
• Monoisotopic Mass: 334.22564283
• SMILES: C(=O)(N(CC1CCN(CCc2c(OC)cccc2)CC1)C)COC
• Canonical SMILES: COCC(=O)N(CC1CCN(CC1)CCc1ccccc1OC)C
• InChI: InChI=1S/C19H30N2O3/c1-20(19(22)15-23-2)14-16-8-11-21(12-9-16)13-10-17-6-4-5-7-18(17)24-3/h4-7,16H,8-15H2,1-3H3
• InChIKey: KCVXCZWPFOSORH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-({1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N-methylacetamide
• IUPAC Traditional name: 2-methoxy-N-({1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N-methylacetamide
• Synonyms: 2-methoxy-N-({1-[2-(2-methoxyphenyl)ethyl]-4-piperidinyl}methyl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.866167
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5259755
• LogD (pH = 7.4): 0.13508466
• Log P: 1.5858122
• Molar Refractivity: 96.8126 cm^3
• Polarizability: 37.56515 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.91
• LOG S: -1.23
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6