N-benzyl-2-[methyl(piperidin-4-yl)amino]-N-[(6-methylpyridin-2-yl)methyl]acetamide

• ChemBase ID: 545535
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: C(=O)(N(Cc1nc(ccc1)C)Cc1ccccc1)CN(C1CCNCC1)C
• Canonical SMILES: Cc1cccc(n1)CN(C(=O)CN(C1CCNCC1)C)Cc1ccccc1
• InChI: InChI=1S/C22H30N4O/c1-18-7-6-10-20(24-18)16-26(15-19-8-4-3-5-9-19)22(27)17-25(2)21-11-13-23-14-12-21/h3-10,21,23H,11-17H2,1-2H3
• InChIKey: BWOXZWDQHWFMDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-[methyl(piperidin-4-yl)amino]-N-[(6-methylpyridin-2-yl)methyl]acetamide
• IUPAC Traditional name: N-benzyl-2-[methyl(piperidin-4-yl)amino]-N-[(6-methylpyridin-2-yl)methyl]acetamide
• Synonyms: N~1~-benzyl-N~2~-methyl-N~1~-[(6-methylpyridin-2-yl)methyl]-N~2~-piperidin-4-ylglycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.040922
• LogD (pH = 7.4): -1.3616599
• Log P: 1.3964363
• Molar Refractivity: 108.9823 cm^3
• Polarizability: 42.751637 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.31
• LOG S: -2.54
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 7