6-(2,3-dihydro-1H-inden-2-yl)-1-(4-phenylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane

• ChemBase ID: 487161
• Molecular Formular: C27H33N3O
• Molecular Mass: 415.57042
• Monoisotopic Mass: 415.26236269
• SMILES: C1(C2(C1)CCN(C1Cc3c(C1)cccc3)CC2)C(=O)N1CCN(CC1)c1ccccc1
• Canonical SMILES: O=C(C1CC21CCN(CC2)C1Cc2c(C1)cccc2)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C27H33N3O/c31-26(30-16-14-29(15-17-30)23-8-2-1-3-9-23)25-20-27(25)10-12-28(13-11-27)24-18-21-6-4-5-7-22(21)19-24/h1-9,24-25H,10-20H2
• InChIKey: AXMUNCSOQUGCCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,3-dihydro-1H-inden-2-yl)-1-(4-phenylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane
• IUPAC Traditional name: 6-(2,3-dihydro-1H-inden-2-yl)-1-(4-phenylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane
• Synonyms: 6-(2,3-dihydro-1H-inden-2-yl)-1-[(4-phenyl-1-piperazinyl)carbonyl]-6-azaspiro[2.5]octane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4948198
• LogD (pH = 7.4): 1.8000457
• Log P: 3.8780596
• Molar Refractivity: 126.1031 cm^3
• Polarizability: 48.372993 Å^3
• Polar Surface Area: 26.79 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: 2.22
• LOG S: -4.7
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 3