N-({1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl}methyl)acetamide

• ChemBase ID: 437586
• Molecular Formular: C20H26N2O
• Molecular Mass: 310.43324
• Monoisotopic Mass: 310.20451346
• SMILES: c1(c2c(ccc1C)cccc2)CN1CC(CNC(=O)C)CCC1
• Canonical SMILES: CC(=O)NCC1CCCN(C1)Cc1c(C)ccc2c1cccc2
• InChI: InChI=1S/C20H26N2O/c1-15-9-10-18-7-3-4-8-19(18)20(15)14-22-11-5-6-17(13-22)12-21-16(2)23/h3-4,7-10,17H,5-6,11-14H2,1-2H3,(H,21,23)
• InChIKey: CFOUIWMYGRZAQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl}methyl)acetamide
• IUPAC Traditional name: N-({1-[(2-methylnaphthalen-1-yl)methyl]piperidin-3-yl}methyl)acetamide
• Synonyms: N-({1-[(2-methyl-1-naphthyl)methyl]piperidin-3-yl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.284164
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.47246268
• LogD (pH = 7.4): 0.6740059
• Log P: 2.9497225
• Molar Refractivity: 95.6369 cm^3
• Polarizability: 38.251923 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.9
• LOG S: -3.94
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4