2-{1-[(1-ethyl-1H-indol-6-yl)methyl]piperidin-4-yl}-N-methylacetamide

• ChemBase ID: 761354
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: n1(c2c(cc1)ccc(c2)CN1CCC(CC(=O)NC)CC1)CC
• Canonical SMILES: CNC(=O)CC1CCN(CC1)Cc1ccc2c(c1)n(CC)cc2
• InChI: InChI=1S/C19H27N3O/c1-3-22-11-8-17-5-4-16(12-18(17)22)14-21-9-6-15(7-10-21)13-19(23)20-2/h4-5,8,11-12,15H,3,6-7,9-10,13-14H2,1-2H3,(H,20,23)
• InChIKey: VEUYZTDNEZWVNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[(1-ethyl-1H-indol-6-yl)methyl]piperidin-4-yl}-N-methylacetamide
• IUPAC Traditional name: 2-{1-[(1-ethylindol-6-yl)methyl]piperidin-4-yl}-N-methylacetamide
• Synonyms: 2-{1-[(1-ethyl-1H-indol-6-yl)methyl]piperidin-4-yl}-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.19343
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.78837365
• LogD (pH = 7.4): 0.90084636
• Log P: 2.272334
• Molar Refractivity: 95.0084 cm^3
• Polarizability: 37.752186 Å^3
• Polar Surface Area: 37.27 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: 2.1
• LOG S: -3.28
• Polar Surface Area: 37.27 Å^2
• Rotatable Bonds: 5