N-({1-[2-(1H-indol-3-yl)ethyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)acetamide

• ChemBase ID: 697911
• Molecular Formular: C18H23N3O
• Molecular Mass: 297.39472
• Monoisotopic Mass: 297.18411237
• SMILES: [nH]1cc(c2c1cccc2)CCN1CC(=CCC1)CNC(=O)C
• Canonical SMILES: CC(=O)NCC1=CCCN(C1)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C18H23N3O/c1-14(22)19-11-15-5-4-9-21(13-15)10-8-16-12-20-18-7-3-2-6-17(16)18/h2-3,5-7,12,20H,4,8-11,13H2,1H3,(H,19,22)
• InChIKey: WWECUSFHIHMGGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(1H-indol-3-yl)ethyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)acetamide
• IUPAC Traditional name: N-({1-[2-(1H-indol-3-yl)ethyl]-5,6-dihydro-2H-pyridin-3-yl}methyl)acetamide
• Synonyms: N-({1-[2-(1H-indol-3-yl)ethyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.999423
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4730966
• LogD (pH = 7.4): 0.19845253
• Log P: 1.6209726
• Molar Refractivity: 90.7048 cm^3
• Polarizability: 35.678307 Å^3
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.23
• LOG S: -2.42
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 5