8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 663123
• Molecular Formular: C19H33N5O
• Molecular Mass: 347.49822
• Monoisotopic Mass: 347.2685107
• SMILES: N1(C(C(=O)NCCn2ncc(c2)C)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCCn1ncc(c1)C)CCN(CC2)C
• InChI: InChI=1S/C19H33N5O/c1-4-8-23-15-19(5-9-22(3)10-6-19)12-17(23)18(25)20-7-11-24-14-16(2)13-21-24/h13-14,17H,4-12,15H2,1-3H3,(H,20,25)
• InChIKey: TWPOKRNZEXBRJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: 8-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: 8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.622597
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.1388483
• LogD (pH = 7.4): -2.5181322
• Log P: 1.31105
• Molar Refractivity: 112.7787 cm^3
• Polarizability: 39.326954 Å^3
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.2
• LOG S: -2.76
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 6