4-{[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl}morpholine

• ChemBase ID: 401383
• Molecular Formular: C15H22N2O2S
• Molecular Mass: 294.41238
• Monoisotopic Mass: 294.14019895
• SMILES: C(=O)(N1C(CN2CCOCC2)CCCC1)c1cscc1
• Canonical SMILES: O=C(N1CCCCC1CN1CCOCC1)c1cscc1
• InChI: InChI=1S/C15H22N2O2S/c18-15(13-4-10-20-12-13)17-5-2-1-3-14(17)11-16-6-8-19-9-7-16/h4,10,12,14H,1-3,5-9,11H2
• InChIKey: MXLMAJNEFASSQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl}morpholine
• IUPAC Traditional name: 4-{[1-(thiophene-3-carbonyl)piperidin-2-yl]methyl}morpholine
• Synonyms: 4-{[1-(3-thienylcarbonyl)-2-piperidinyl]methyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6658534
• LogD (pH = 7.4): 1.7031509
• Log P: 1.7619575
• Molar Refractivity: 80.9414 cm^3
• Polarizability: 31.01806 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.91
• LOG S: -2.12
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3