1-(2-{[(1-ethyl-1H-indol-5-yl)methyl](methyl)amino}ethyl)piperidin-2-one

• ChemBase ID: 757458
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: n1(c2c(cc1)cc(CN(CCN1C(=O)CCCC1)C)cc2)CC
• Canonical SMILES: CCn1ccc2c1ccc(c2)CN(CCN1CCCCC1=O)C
• InChI: InChI=1S/C19H27N3O/c1-3-21-11-9-17-14-16(7-8-18(17)21)15-20(2)12-13-22-10-5-4-6-19(22)23/h7-9,11,14H,3-6,10,12-13,15H2,1-2H3
• InChIKey: UJNCFVDJFSRFBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{[(1-ethyl-1H-indol-5-yl)methyl](methyl)amino}ethyl)piperidin-2-one
• IUPAC Traditional name: 1-(2-{[(1-ethylindol-5-yl)methyl](methyl)amino}ethyl)piperidin-2-one
• Synonyms: 1-{2-[[(1-ethyl-1H-indol-5-yl)methyl](methyl)amino]ethyl}piperidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.19712043
• LogD (pH = 7.4): 1.5751828
• Log P: 2.5109992
• Molar Refractivity: 95.1191 cm^3
• Polarizability: 37.75214 Å^3
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.19
• LOG S: -4.21
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 6