1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethan-1-one

• ChemBase ID: 550681
• Molecular Formular: C15H24N2O2S
• Molecular Mass: 296.42826
• Monoisotopic Mass: 296.15584902
• SMILES: C(=O)(N1C(CCCOC)CCCC1)Cc1nc(sc1)C
• Canonical SMILES: COCCCC1CCCCN1C(=O)Cc1csc(n1)C
• InChI: InChI=1S/C15H24N2O2S/c1-12-16-13(11-20-12)10-15(18)17-8-4-3-6-14(17)7-5-9-19-2/h11,14H,3-10H2,1-2H3
• InChIKey: RVLYQQFQOUYPRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethan-1-one
• IUPAC Traditional name: 1-[2-(3-methoxypropyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
• Synonyms: 2-(3-methoxypropyl)-1-[(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8582343
• LogD (pH = 7.4): 1.8595744
• Log P: 1.8595916
• Molar Refractivity: 80.624 cm^3
• Polarizability: 31.310055 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.68
• LOG S: -2.8
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6