1-methyl-6-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]-1H-indole

• ChemBase ID: 509778
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(N1CCN(C(=O)c2cc3n(ccc3cc2)C)CC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCN(CC1)C(=O)c1ccc2c(c1)n(C)cc2
• InChI: InChI=1S/C19H24N4O3/c1-20-5-4-15-2-3-16(14-17(15)20)18(24)21-6-8-22(9-7-21)19(25)23-10-12-26-13-11-23/h2-5,14H,6-13H2,1H3
• InChIKey: ZHWWMIRVWJQVTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-6-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]-1H-indole
• IUPAC Traditional name: 1-methyl-6-[4-(morpholine-4-carbonyl)piperazine-1-carbonyl]indole
• Synonyms: 1-methyl-6-{[4-(4-morpholinylcarbonyl)-1-piperazinyl]carbonyl}-1H-indole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5629962
• LogD (pH = 7.4): 0.5629964
• Log P: 0.5629964
• Molar Refractivity: 98.7789 cm^3
• Polarizability: 38.2833 Å^3
• Polar Surface Area: 58.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.03
• LOG S: -3.08
• Polar Surface Area: 58.02 Å^2
• Rotatable Bonds: 1