7-{5-[(4-methylpiperidin-1-yl)methyl]furan-2-carbonyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 735007
• Molecular Formular: C20H31N3O2
• Molecular Mass: 345.47904
• Monoisotopic Mass: 345.24162725
• SMILES: c1(C(=O)N2CC3(CNCC3)CCC2)oc(cc1)CN1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)Cc1ccc(o1)C(=O)N1CCCC2(C1)CCNC2
• InChI: InChI=1S/C20H31N3O2/c1-16-5-11-22(12-6-16)13-17-3-4-18(25-17)19(24)23-10-2-7-20(15-23)8-9-21-14-20/h3-4,16,21H,2,5-15H2,1H3
• InChIKey: QEXPQPIYUCEXKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{5-[(4-methylpiperidin-1-yl)methyl]furan-2-carbonyl}-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-{5-[(4-methylpiperidin-1-yl)methyl]furan-2-carbonyl}-2,7-diazaspiro[4.5]decane
• Synonyms: 7-{5-[(4-methylpiperidin-1-yl)methyl]-2-furoyl}-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.170428
• LogD (pH = 7.4): -2.264889
• Log P: 1.4950024
• Molar Refractivity: 99.9184 cm^3
• Polarizability: 38.518314 Å^3
• Polar Surface Area: 48.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.8
• LOG S: -3.26
• Polar Surface Area: 48.72 Å^2
• Rotatable Bonds: 3