N-(cyclohexylmethyl)-3-oxo-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 465545
• Molecular Formular: C23H34N4O2
• Molecular Mass: 398.54166
• Monoisotopic Mass: 398.26817635
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)NCC1CCCCC1)CC2)Cc1ncccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N(C2)Cc1ccccn1)NCC1CCCCC1
• InChI: InChI=1S/C23H34N4O2/c28-21-9-10-23(18-27(21)17-20-8-4-5-13-24-20)11-14-26(15-12-23)22(29)25-16-19-6-2-1-3-7-19/h4-5,8,13,19H,1-3,6-7,9-12,14-18H2,(H,25,29)
• InChIKey: BCHCURWWDJKFDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohexylmethyl)-3-oxo-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: N-(cyclohexylmethyl)-3-oxo-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: N-(cyclohexylmethyl)-3-oxo-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.285308
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8766067
• LogD (pH = 7.4): 1.894066
• Log P: 1.8942935
• Molar Refractivity: 112.6733 cm^3
• Polarizability: 43.94377 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.74
• LOG S: -3.15
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4