N-{3-[1-(cyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]propyl}acetamide

• ChemBase ID: 412717
• Molecular Formular: C16H26N2O
• Molecular Mass: 262.39044
• Monoisotopic Mass: 262.20451346
• SMILES: N1(CC=C(CC1)CCCNC(=O)C)C1C=CCCC1
• Canonical SMILES: CC(=O)NCCCC1=CCN(CC1)C1CCCC=C1
• InChI: InChI=1S/C16H26N2O/c1-14(19)17-11-5-6-15-9-12-18(13-10-15)16-7-3-2-4-8-16/h3,7,9,16H,2,4-6,8,10-13H2,1H3,(H,17,19)
• InChIKey: FGQNJJYJQGCYCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[1-(cyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]propyl}acetamide
• IUPAC Traditional name: N-{3-[1-(cyclohex-2-en-1-yl)-3,6-dihydro-2H-pyridin-4-yl]propyl}acetamide
• Synonyms: N-[3-(1-cyclohex-2-en-1-yl-1,2,3,6-tetrahydropyridin-4-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.138918
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4232292
• LogD (pH = 7.4): 0.107627675
• Log P: 1.8355625
• Molar Refractivity: 81.5835 cm^3
• Polarizability: 31.00448 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: 1.86
• LOG S: -2.7
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5