7-(cyclopropylmethyl)-2-[6-(methoxymethyl)pyridine-2-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 727443
• Molecular Formular: C20H27N3O3
• Molecular Mass: 357.44668
• Monoisotopic Mass: 357.20524174
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)c2nc(COC)ccc2)CC1
• Canonical SMILES: COCc1cccc(n1)C(=O)N1CCC2(C1)CCCN(C2=O)CC1CC1
• InChI: InChI=1S/C20H27N3O3/c1-26-13-16-4-2-5-17(21-16)18(24)23-11-9-20(14-23)8-3-10-22(19(20)25)12-15-6-7-15/h2,4-5,15H,3,6-14H2,1H3
• InChIKey: RZDFBVWOAUHMQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-[6-(methoxymethyl)pyridine-2-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-[6-(methoxymethyl)pyridine-2-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-{[6-(methoxymethyl)pyridin-2-yl]carbonyl}-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.129149
• LogD (pH = 7.4): 1.1291511
• Log P: 1.1291511
• Molar Refractivity: 98.0007 cm^3
• Polarizability: 37.781765 Å^3
• Polar Surface Area: 62.74 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: 0.26
• LOG S: -3.34
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 5