2-{[3-(morpholin-4-yl)phenyl]methyl}-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 744740
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: C1(=O)C2(CN(Cc3cc(N4CCOCC4)ccc3)CC2)CCCN1C(C)C
• Canonical SMILES: CC(N1CCCC2(C1=O)CCN(C2)Cc1cccc(c1)N1CCOCC1)C
• InChI: InChI=1S/C22H33N3O2/c1-18(2)25-9-4-7-22(21(25)26)8-10-23(17-22)16-19-5-3-6-20(15-19)24-11-13-27-14-12-24/h3,5-6,15,18H,4,7-14,16-17H2,1-2H3
• InChIKey: MOHHAQLNDGJHHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(morpholin-4-yl)phenyl]methyl}-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-isopropyl-2-{[3-(morpholin-4-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-isopropyl-2-(3-morpholin-4-ylbenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.88528305
• LogD (pH = 7.4): 0.29388413
• Log P: 2.529478
• Molar Refractivity: 109.8841 cm^3
• Polarizability: 42.17038 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.89
• LOG S: -3.52
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4