N,8-dimethyl-2-propyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 412790
• Molecular Formular: C20H32N4O
• Molecular Mass: 344.49428
• Monoisotopic Mass: 344.25761166
• SMILES: C(=O)(C1N(CC2(C1)CCN(CC2)C)CCC)N(Cc1cnccc1)C
• Canonical SMILES: CCCN1CC2(CC1C(=O)N(Cc1cccnc1)C)CCN(CC2)C
• InChI: InChI=1S/C20H32N4O/c1-4-10-24-16-20(7-11-22(2)12-8-20)13-18(24)19(25)23(3)15-17-6-5-9-21-14-17/h5-6,9,14,18H,4,7-8,10-13,15-16H2,1-3H3
• InChIKey: XWYPOLFBSRSGGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,8-dimethyl-2-propyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N,8-dimethyl-2-propyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N,8-dimethyl-2-propyl-N-(3-pyridinylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.274604
• LogD (pH = 7.4): -2.64814
• Log P: 1.2985245
• Molar Refractivity: 102.0975 cm^3
• Polarizability: 39.859234 Å^3
• Polar Surface Area: 39.68 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: 1.12
• LOG S: -1.37
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 5