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

• ChemBase ID: 455870
• Molecular Formular: C22H35N3O
• Molecular Mass: 357.5328
• Monoisotopic Mass: 357.27801276
• SMILES: C(=O)(N(Cc1ccccc1)CC1CCCCC1)CN(C1CCNCC1)C
• Canonical SMILES: CN(C1CCNCC1)CC(=O)N(Cc1ccccc1)CC1CCCCC1
• InChI: InChI=1S/C22H35N3O/c1-24(21-12-14-23-15-13-21)18-22(26)25(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2,4-5,8-9,20-21,23H,3,6-7,10-18H2,1H3
• InChIKey: HWAXVLATJKYKRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5617461
• LogD (pH = 7.4): 0.034088876
• Log P: 2.791077
• Molar Refractivity: 108.2023 cm^3
• Polarizability: 42.62085 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.01
• LOG S: -5.23
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7