2-benzyl-9-[2-(morpholin-2-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 334055
• Molecular Formular: C22H31N3O3
• Molecular Mass: 385.49984
• Monoisotopic Mass: 385.23654187
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)CC1OCCNC1)CC2)Cc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N(C2)Cc1ccccc1)CC1CNCCO1
• InChI: InChI=1S/C22H31N3O3/c26-20-6-7-22(17-25(20)16-18-4-2-1-3-5-18)8-11-24(12-9-22)21(27)14-19-15-23-10-13-28-19/h1-5,19,23H,6-17H2
• InChIKey: HGRQZTKFEXKTPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-9-[2-(morpholin-2-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-benzyl-9-[2-(morpholin-2-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-benzyl-9-(morpholin-2-ylacetyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1538868
• LogD (pH = 7.4): -0.4650569
• Log P: 0.6128102
• Molar Refractivity: 107.6124 cm^3
• Polarizability: 42.242943 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.47
• LOG S: -2.41
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4