N-(cyclohex-1-en-1-ylmethyl)-2-(1-ethylpiperidin-4-yl)acetamide

• ChemBase ID: 331220
• Molecular Formular: C16H28N2O
• Molecular Mass: 264.40632
• Monoisotopic Mass: 264.22016353
• SMILES: N1(CCC(CC(=O)NCC2=CCCCC2)CC1)CC
• Canonical SMILES: CCN1CCC(CC1)CC(=O)NCC1=CCCCC1
• InChI: InChI=1S/C16H28N2O/c1-2-18-10-8-14(9-11-18)12-16(19)17-13-15-6-4-3-5-7-15/h6,14H,2-5,7-13H2,1H3,(H,17,19)
• InChIKey: GQTGNTDBBFJDKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohex-1-en-1-ylmethyl)-2-(1-ethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-(cyclohex-1-en-1-ylmethyl)-2-(1-ethylpiperidin-4-yl)acetamide
• Synonyms: N-(1-cyclohexen-1-ylmethyl)-2-(1-ethyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.188713
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2123271
• LogD (pH = 7.4): 0.3579282
• Log P: 2.0120804
• Molar Refractivity: 80.9306 cm^3
• Polarizability: 31.242338 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.82
• LOG S: -3.54
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5