7-[(3-methoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 837894
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C12(C(=O)N(Cc3cc(OC)ccc3)CCC2)CN(Cc2cnccc2)CC1
• Canonical SMILES: COc1cccc(c1)CN1CCCC2(C1=O)CCN(C2)Cc1cccnc1
• InChI: InChI=1S/C22H27N3O2/c1-27-20-7-2-5-18(13-20)16-25-11-4-8-22(21(25)26)9-12-24(17-22)15-19-6-3-10-23-14-19/h2-3,5-7,10,13-14H,4,8-9,11-12,15-17H2,1H3
• InChIKey: CWHHOWIMEMIEJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3-methoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(3-methoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(3-methoxybenzyl)-2-(3-pyridinylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0516742
• LogD (pH = 7.4): 0.46961957
• Log P: 2.215681
• Molar Refractivity: 106.1325 cm^3
• Polarizability: 41.230232 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.01
• LOG S: -2.0
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4