N-(2-methoxyethyl)-3-(2-methyl-1H-indol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide

• ChemBase ID: 517456
• Molecular Formular: C21H31N3O2
• Molecular Mass: 357.48974
• Monoisotopic Mass: 357.24162725
• SMILES: n1(c(cc2c1cccc2)C)CCC(=O)N(C1CCN(CC1)C)CCOC
• Canonical SMILES: COCCN(C(=O)CCn1c(C)cc2c1cccc2)C1CCN(CC1)C
• InChI: InChI=1S/C21H31N3O2/c1-17-16-18-6-4-5-7-20(18)23(17)13-10-21(25)24(14-15-26-3)19-8-11-22(2)12-9-19/h4-7,16,19H,8-15H2,1-3H3
• InChIKey: CCVSTPMBCGAHLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-(2-methyl-1H-indol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-(2-methylindol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
• Synonyms: N-(2-methoxyethyl)-3-(2-methyl-1H-indol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0148319
• LogD (pH = 7.4): 0.7421728
• Log P: 1.8304814
• Molar Refractivity: 106.0851 cm^3
• Polarizability: 42.11068 Å^3
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -4.28
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 7