1-(benzyloxy)-8-[2-(4-phenylpiperidin-1-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 552505
• Molecular Formular: C28H35N3O3
• Molecular Mass: 461.5958
• Monoisotopic Mass: 461.267842
• SMILES: N1(C2(CCN(C(=O)CN3CCC(CC3)c3ccccc3)CC2)CCC1=O)OCc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N2OCc1ccccc1)CN1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C28H35N3O3/c32-26-11-14-28(31(26)34-22-23-7-3-1-4-8-23)15-19-30(20-16-28)27(33)21-29-17-12-25(13-18-29)24-9-5-2-6-10-24/h1-10,25H,11-22H2
• InChIKey: UUVYVHHDJUWKIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-8-[2-(4-phenylpiperidin-1-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-(benzyloxy)-8-[2-(4-phenylpiperidin-1-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-(benzyloxy)-8-[(4-phenyl-1-piperidinyl)acetyl]-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.47988048
• LogD (pH = 7.4): 2.2315793
• Log P: 2.8597996
• Molar Refractivity: 132.9439 cm^3
• Polarizability: 51.75686 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.31
• LOG S: -5.39
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 6