8-[2-(1-methyl-1H-indol-3-yl)acetyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

• ChemBase ID: 767054
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(cn(c2c1cccc2)C)CC(=O)N1CCC2(OC(=O)NC2)CCC1
• Canonical SMILES: O=C1NCC2(O1)CCCN(CC2)C(=O)Cc1cn(c2c1cccc2)C
• InChI: InChI=1S/C19H23N3O3/c1-21-12-14(15-5-2-3-6-16(15)21)11-17(23)22-9-4-7-19(8-10-22)13-20-18(24)25-19/h2-3,5-6,12H,4,7-11,13H2,1H3,(H,20,24)
• InChIKey: SOCCIUUGDIUZHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(1-methyl-1H-indol-3-yl)acetyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• IUPAC Traditional name: 8-[2-(1-methylindol-3-yl)acetyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• Synonyms: 8-[(1-methyl-1H-indol-3-yl)acetyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.13765
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4927636
• LogD (pH = 7.4): 1.4927629
• Log P: 1.4927636
• Molar Refractivity: 93.9788 cm^3
• Polarizability: 37.353153 Å^3
• Polar Surface Area: 63.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.16
• LOG S: -3.53
• Polar Surface Area: 63.57 Å^2
• Rotatable Bonds: 2