N-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 746791
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NCCCOC1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)OCCCNC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C
• InChI: InChI=1S/C22H33N3O2/c1-15-6-7-16(2)22-21(15)19(17(3)24-22)14-20(26)23-10-5-13-27-18-8-11-25(4)12-9-18/h6-7,18,24H,5,8-14H2,1-4H3,(H,23,26)
• InChIKey: GSGXCAIOZNRPBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-{3-[(1-methyl-4-piperidinyl)oxy]propyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.107462
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.80596375
• LogD (pH = 7.4): 0.7895468
• Log P: 2.392684
• Molar Refractivity: 111.7631 cm^3
• Polarizability: 43.79488 Å^3
• Polar Surface Area: 57.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.77
• LOG S: -4.27
• Polar Surface Area: 57.36 Å^2
• Rotatable Bonds: 7