8-[2-(1H-indol-1-yl)acetyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 667136
• Molecular Formular: C22H29N3O3
• Molecular Mass: 383.48396
• Monoisotopic Mass: 383.2208918
• SMILES: n1(ccc2c1cccc2)CC(=O)N1CCC2(CN(C(=O)C2)CCCOC)CC1
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)Cn1ccc2c1cccc2
• InChI: InChI=1S/C22H29N3O3/c1-28-14-4-10-25-17-22(15-20(25)26)8-12-23(13-9-22)21(27)16-24-11-7-18-5-2-3-6-19(18)24/h2-3,5-7,11H,4,8-10,12-17H2,1H3
• InChIKey: NIBXXMLCSHKUKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(1H-indol-1-yl)acetyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[2-(indol-1-yl)acetyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(1H-indol-1-ylacetyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8670352
• LogD (pH = 7.4): 0.8670356
• Log P: 0.8670356
• Molar Refractivity: 108.2114 cm^3
• Polarizability: 42.960815 Å^3
• Polar Surface Area: 54.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.17
• LOG S: -3.85
• Polar Surface Area: 54.78 Å^2
• Rotatable Bonds: 6