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

• ChemBase ID: 641684
• Molecular Formular: C20H32N4O
• Molecular Mass: 344.49428
• Monoisotopic Mass: 344.25761166
• SMILES: C(=O)(C1N(CC2(C1)CCNCC2)C)N(Cc1cnccc1)CCCC
• Canonical SMILES: CCCCN(C(=O)C1CC2(CN1C)CCNCC2)Cc1cccnc1
• InChI: InChI=1S/C20H32N4O/c1-3-4-12-24(15-17-6-5-9-22-14-17)19(25)18-13-20(16-23(18)2)7-10-21-11-8-20/h5-6,9,14,18,21H,3-4,7-8,10-13,15-16H2,1-2H3
• InChIKey: TZVOTRVVFUYJQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.669707
• LogD (pH = 7.4): -2.3830984
• Log P: 1.3600452
• Molar Refractivity: 101.4038 cm^3
• Polarizability: 39.859234 Å^3
• Polar Surface Area: 48.47 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: 1.26
• LOG S: -1.49
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 6