8-methyl-2-propyl-N-[3-(pyridin-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 582383
• Molecular Formular: C21H34N4O
• Molecular Mass: 358.52086
• Monoisotopic Mass: 358.27326173
• SMILES: N1(C(C(=O)NCCCc2ccncc2)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCCCc1ccncc1)CCN(CC2)C
• InChI: InChI=1S/C21H34N4O/c1-3-13-25-17-21(8-14-24(2)15-9-21)16-19(25)20(26)23-10-4-5-18-6-11-22-12-7-18/h6-7,11-12,19H,3-5,8-10,13-17H2,1-2H3,(H,23,26)
• InChIKey: IJHABZXIDCDYJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2-propyl-N-[3-(pyridin-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: 8-methyl-2-propyl-N-[3-(pyridin-4-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: 8-methyl-2-propyl-N-[3-(4-pyridinyl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.653965
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.811603
• LogD (pH = 7.4): -2.098331
• Log P: 1.8080783
• Molar Refractivity: 106.5568 cm^3
• Polarizability: 41.705162 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.61
• LOG S: -1.89
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 7