1,9-dimethyl-4-(morpholine-4-carbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 421840
• Molecular Formular: C16H28N4O3
• Molecular Mass: 324.41852
• Monoisotopic Mass: 324.21614078
• SMILES: C(=O)(N1CC2(N(CC1)C)CCN(C(=O)CC2)C)N1CCOCC1
• Canonical SMILES: CN1CCC2(CCC1=O)CN(CCN2C)C(=O)N1CCOCC1
• InChI: InChI=1S/C16H28N4O3/c1-17-6-5-16(4-3-14(17)21)13-20(8-7-18(16)2)15(22)19-9-11-23-12-10-19/h3-13H2,1-2H3
• InChIKey: ZEMSGXPLSPLNGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,9-dimethyl-4-(morpholine-4-carbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 1,9-dimethyl-4-(morpholine-4-carbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 1,9-dimethyl-4-(morpholin-4-ylcarbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.5258994
• LogD (pH = 7.4): -1.8147353
• Log P: -1.3244731
• Molar Refractivity: 87.4648 cm^3
• Polarizability: 33.8294 Å^3
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.11
• LOG S: -2.78
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 0