2-[(3-methoxyphenyl)methyl]-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 406162
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: N1(C(=O)CC2(C1)CCN(CCc1ncccc1)CC2)Cc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CN1CC2(CC1=O)CCN(CC2)CCc1ccccn1
• InChI: InChI=1S/C23H29N3O2/c1-28-21-7-4-5-19(15-21)17-26-18-23(16-22(26)27)9-13-25(14-10-23)12-8-20-6-2-3-11-24-20/h2-7,11,15H,8-10,12-14,16-18H2,1H3
• InChIKey: WZZSCCCUYYFJJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-methoxyphenyl)methyl]-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(3-methoxyphenyl)methyl]-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-methoxybenzyl)-8-[2-(2-pyridinyl)ethyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 2.32
• LOG S: -2.65
• Polar Surface Area: 45.67 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.045471
• LogD (pH = 7.4): 0.64820546
• Log P: 2.0222313
• Molar Refractivity: 110.2579 cm^3
• Polarizability: 42.999454 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 6