3-(4-phenylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decane

• ChemBase ID: 675351
• Molecular Formular: C19H28N4O
• Molecular Mass: 328.45182
• Monoisotopic Mass: 328.22631154
• SMILES: C(=O)(N1CCN(CC1)c1ccccc1)C1NCC2(C1)CCNCC2
• Canonical SMILES: O=C(C1NCC2(C1)CCNCC2)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C19H28N4O/c24-18(17-14-19(15-21-17)6-8-20-9-7-19)23-12-10-22(11-13-23)16-4-2-1-3-5-16/h1-5,17,20-21H,6-15H2
• InChIKey: MEAOVPGLUVUZHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-phenylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 3-(4-phenylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decane
• Synonyms: 3-[(4-phenyl-1-piperazinyl)carbonyl]-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.562255
• LogD (pH = 7.4): -4.2963734
• Log P: 0.88453734
• Molar Refractivity: 96.3284 cm^3
• Polarizability: 37.487217 Å^3
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.61
• LOG S: -2.12
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 2