4-{1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-3-carbonyl}morpholine

• ChemBase ID: 515853
• Molecular Formular: C18H28N4O2S
• Molecular Mass: 364.50552
• Monoisotopic Mass: 364.19329716
• SMILES: c1(N2CCC(N3CC(C(=O)N4CCOCC4)CCC3)CC2)nccs1
• Canonical SMILES: O=C(N1CCOCC1)C1CCCN(C1)C1CCN(CC1)c1nccs1
• InChI: InChI=1S/C18H28N4O2S/c23-17(20-9-11-24-12-10-20)15-2-1-6-22(14-15)16-3-7-21(8-4-16)18-19-5-13-25-18/h5,13,15-16H,1-4,6-12,14H2
• InChIKey: ODFBINODQAZHIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-3-carbonyl}morpholine
• IUPAC Traditional name: 4-{1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidine-3-carbonyl}morpholine
• Synonyms: 3-(morpholin-4-ylcarbonyl)-1'-(1,3-thiazol-2-yl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.1979043
• LogD (pH = 7.4): -0.7235795
• Log P: 1.1020658
• Molar Refractivity: 99.5374 cm^3
• Polarizability: 38.13257 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.89
• LOG S: -2.62
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 3