8-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 634788
• Molecular Formular: C18H31N5O
• Molecular Mass: 333.47164
• Monoisotopic Mass: 333.25286064
• SMILES: N1(C(C(=O)NCc2n[nH]c(c2)C)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCc1n[nH]c(c1)C)CCN(CC2)C
• InChI: InChI=1S/C18H31N5O/c1-4-7-23-13-18(5-8-22(3)9-6-18)11-16(23)17(24)19-12-15-10-14(2)20-21-15/h10,16H,4-9,11-13H2,1-3H3,(H,19,24)(H,20,21)
• InChIKey: FIAMOILZMYWNLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: 8-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: 8-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.801308
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.444916
• LogD (pH = 7.4): -2.7885776
• Log P: 0.877738
• Molar Refractivity: 97.6726 cm^3
• Polarizability: 37.48178 Å^3
• Polar Surface Area: 64.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.88
• LOG S: -2.38
• Polar Surface Area: 64.26 Å^2
• Rotatable Bonds: 5