N-[(2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)acetamide

• ChemBase ID: 704083
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: C(=O)(CC1N(C)CCCC1)N(Cc1c(OC)cccc1)Cc1ccncc1
• Canonical SMILES: COc1ccccc1CN(C(=O)CC1CCCCN1C)Cc1ccncc1
• InChI: InChI=1S/C22H29N3O2/c1-24-14-6-5-8-20(24)15-22(26)25(16-18-10-12-23-13-11-18)17-19-7-3-4-9-21(19)27-2/h3-4,7,9-13,20H,5-6,8,14-17H2,1-2H3
• InChIKey: VEMGCGLJFUHVHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)acetamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)acetamide
• Synonyms: N-(2-methoxybenzyl)-2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.9039963
• LogD (pH = 7.4): 0.61794555
• Log P: 2.5293107
• Molar Refractivity: 107.7314 cm^3
• Polarizability: 41.96211 Å^3
• Polar Surface Area: 45.67 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: 2.19
• LOG S: -2.45
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 7