2-[2-(1H-indol-1-yl)acetyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 392454
• Molecular Formular: C21H27N3O2
• Molecular Mass: 353.45798
• Monoisotopic Mass: 353.21032712
• SMILES: C12(C(=O)N(C(C)C)CCC2)CN(C(=O)Cn2ccc3c2cccc3)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C(C)C)Cn1ccc2c1cccc2
• InChI: InChI=1S/C21H27N3O2/c1-16(2)24-11-5-9-21(20(24)26)10-13-23(15-21)19(25)14-22-12-8-17-6-3-4-7-18(17)22/h3-4,6-8,12,16H,5,9-11,13-15H2,1-2H3
• InChIKey: YFWDFAZNBAUDEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1H-indol-1-yl)acetyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(indol-1-yl)acetyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(1H-indol-1-ylacetyl)-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1393683
• LogD (pH = 7.4): 2.1393688
• Log P: 2.1393688
• Molar Refractivity: 101.5217 cm^3
• Polarizability: 40.434383 Å^3
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.92
• LOG S: -4.27
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 3