1-methyl-4-[2-(morpholin-4-yl)-2-oxoethyl]-9-(prop-2-en-1-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 683720
• Molecular Formular: C19H32N4O3
• Molecular Mass: 364.48238
• Monoisotopic Mass: 364.2474409
• SMILES: C12(N(CCN(CC(=O)N3CCOCC3)C1)C)CCN(C(=O)CC2)CC=C
• Canonical SMILES: C=CCN1CCC2(CCC1=O)CN(CCN2C)CC(=O)N1CCOCC1
• InChI: InChI=1S/C19H32N4O3/c1-3-7-22-8-6-19(5-4-17(22)24)16-21(10-9-20(19)2)15-18(25)23-11-13-26-14-12-23/h3H,1,4-16H2,2H3
• InChIKey: QADAPLCWQKRJCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-[2-(morpholin-4-yl)-2-oxoethyl]-9-(prop-2-en-1-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 1-methyl-4-[2-(morpholin-4-yl)-2-oxoethyl]-9-(prop-2-en-1-yl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 9-allyl-1-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.6032197
• LogD (pH = 7.4): -1.8373501
• Log P: -0.81553143
• Molar Refractivity: 101.5864 cm^3
• Polarizability: 39.471046 Å^3
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.51
• LOG S: -2.29
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 4