2-(cyclopropylmethyl)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 535559
• Molecular Formular: C20H27FN2O
• Molecular Mass: 330.4395832
• Monoisotopic Mass: 330.21074171
• SMILES: N1(C(=O)CCC2(C1)CCN(Cc1ccc(F)cc1)CC2)CC1CC1
• Canonical SMILES: Fc1ccc(cc1)CN1CCC2(CC1)CCC(=O)N(C2)CC1CC1
• InChI: InChI=1S/C20H27FN2O/c21-18-5-3-16(4-6-18)13-22-11-9-20(10-12-22)8-7-19(24)23(15-20)14-17-1-2-17/h3-6,17H,1-2,7-15H2
• InChIKey: RVIJPWWRCYYPBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethyl)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(cyclopropylmethyl)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(cyclopropylmethyl)-9-(4-fluorobenzyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.11166486
• LogD (pH = 7.4): 1.6472412
• Log P: 2.722465
• Molar Refractivity: 93.9212 cm^3
• Polarizability: 36.30552 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.9
• LOG S: -4.09
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4