1-[1-(oxan-4-yl)piperidine-3-carbonyl]-4-(1,3-thiazol-2-yl)piperazine

• ChemBase ID: 634466
• Molecular Formular: C18H28N4O2S
• Molecular Mass: 364.50552
• Monoisotopic Mass: 364.19329716
• SMILES: c1(N2CCN(C(=O)C3CN(C4CCOCC4)CCC3)CC2)nccs1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCOCC1)N1CCN(CC1)c1nccs1
• InChI: InChI=1S/C18H28N4O2S/c23-17(20-7-9-21(10-8-20)18-19-5-13-25-18)15-2-1-6-22(14-15)16-3-11-24-12-4-16/h5,13,15-16H,1-4,6-12,14H2
• InChIKey: SEFQYKQGXGRXAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(oxan-4-yl)piperidine-3-carbonyl]-4-(1,3-thiazol-2-yl)piperazine
• IUPAC Traditional name: 1-[1-(oxan-4-yl)piperidine-3-carbonyl]-4-(1,3-thiazol-2-yl)piperazine
• Synonyms: 1-{[1-(tetrahydro-2H-pyran-4-yl)-3-piperidinyl]carbonyl}-4-(1,3-thiazol-2-yl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.348006
• LogD (pH = 7.4): -1.3466516
• Log P: 1.1020658
• Molar Refractivity: 99.5374 cm^3
• Polarizability: 38.132595 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: 2.09
• LOG S: -3.64
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 3