4-{3-azaspiro[5.5]undecan-9-yl}piperazine-1-carboxamide

• ChemBase ID: 642722
• Molecular Formular: C15H28N4O
• Molecular Mass: 280.40902
• Monoisotopic Mass: 280.22631154
• SMILES: C(=O)(N1CCN(C2CCC3(CC2)CCNCC3)CC1)N
• Canonical SMILES: NC(=O)N1CCN(CC1)C1CCC2(CC1)CCNCC2
• InChI: InChI=1S/C15H28N4O/c16-14(20)19-11-9-18(10-12-19)13-1-3-15(4-2-13)5-7-17-8-6-15/h13,17H,1-12H2,(H2,16,20)
• InChIKey: DQEMKYHSEPFVEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-azaspiro[5.5]undecan-9-yl}piperazine-1-carboxamide
• IUPAC Traditional name: 4-{3-azaspiro[5.5]undecan-9-yl}piperazine-1-carboxamide
• Synonyms: 4-(3-azaspiro[5.5]undec-9-yl)piperazine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.936583
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.6281133
• LogD (pH = 7.4): -3.382288
• Log P: 0.17703035
• Molar Refractivity: 80.2542 cm^3
• Polarizability: 31.567768 Å^3
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.06
• LOG S: -2.61
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 1