N-(1-cycloheptylpiperidin-3-yl)-2-methoxyacetamide

• ChemBase ID: 452654
• Molecular Formular: C15H28N2O2
• Molecular Mass: 268.39502
• Monoisotopic Mass: 268.21507815
• SMILES: N1(CC(NC(=O)COC)CCC1)C1CCCCCC1
• Canonical SMILES: COCC(=O)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C15H28N2O2/c1-19-12-15(18)16-13-7-6-10-17(11-13)14-8-4-2-3-5-9-14/h13-14H,2-12H2,1H3,(H,16,18)
• InChIKey: DGFCBFKRAQCXBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-2-methoxyacetamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-2-methoxyacetamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.561384
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6141789
• LogD (pH = 7.4): -0.2640001
• Log P: 1.7473145
• Molar Refractivity: 76.6615 cm^3
• Polarizability: 30.32565 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.52
• LOG S: -1.59
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3