3-(3-methoxypropyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine

• ChemBase ID: 699688
• Molecular Formular: C14H22N2O2S
• Molecular Mass: 282.40168
• Monoisotopic Mass: 282.14019895
• SMILES: c1(C(=O)N2CC(CCC2)CCCOC)sc(nc1)C
• Canonical SMILES: COCCCC1CCCN(C1)C(=O)c1cnc(s1)C
• InChI: InChI=1S/C14H22N2O2S/c1-11-15-9-13(19-11)14(17)16-7-3-5-12(10-16)6-4-8-18-2/h9,12H,3-8,10H2,1-2H3
• InChIKey: GUBHUTASQRTFBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxypropyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine
• IUPAC Traditional name: 3-(3-methoxypropyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine
• Synonyms: 3-(3-methoxypropyl)-1-[(2-methyl-1,3-thiazol-5-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4963369
• LogD (pH = 7.4): 1.4964578
• Log P: 1.4964594
• Molar Refractivity: 76.8585 cm^3
• Polarizability: 29.285471 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.51
• LOG S: -1.7
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5