1-methyl-8-(4-methylpiperazine-1-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 859178
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: C1(=O)N(C2(CC1c1ccccc1)CCN(C(=O)N1CCN(CC1)C)CC2)C
• Canonical SMILES: CN1CCN(CC1)C(=O)N1CCC2(CC1)CC(C(=O)N2C)c1ccccc1
• InChI: InChI=1S/C21H30N4O2/c1-22-12-14-25(15-13-22)20(27)24-10-8-21(9-11-24)16-18(19(26)23(21)2)17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3
• InChIKey: OTZDSZWHOIXEON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-8-(4-methylpiperazine-1-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-methyl-8-(4-methylpiperazine-1-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-methyl-8-[(4-methyl-1-piperazinyl)carbonyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 105.9562 cm^3
• Polarizability: 40.84366 Å^3
• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9522542
• LogD (pH = 7.4): 0.34047297
• Log P: 0.4592524

供应商提供(Chembridge)

• Polar Surface Area: 47.1 Å^2
• Rotatable Bonds: 1
• H Acceptors: 3
• H Donor: 0
• Log P: 1.64
• LOG S: -3.3