3-(3-methoxypropyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine

• ChemBase ID: 429026
• Molecular Formular: C14H22N2O2S
• Molecular Mass: 282.40168
• Monoisotopic Mass: 282.14019895
• SMILES: c1(nc(sc1)C)C(=O)N1CC(CCC1)CCCOC
• Canonical SMILES: COCCCC1CCCN(C1)C(=O)c1csc(n1)C
• InChI: InChI=1S/C14H22N2O2S/c1-11-15-13(10-19-11)14(17)16-7-3-5-12(9-16)6-4-8-18-2/h10,12H,3-9H2,1-2H3
• InChIKey: RJKZDFKMGGTEFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxypropyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine
• IUPAC Traditional name: 3-(3-methoxypropyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine
• Synonyms: 3-(3-methoxypropyl)-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7498673
• LogD (pH = 7.4): 1.7498702
• Log P: 1.7498703
• Molar Refractivity: 76.7024 cm^3
• Polarizability: 29.280733 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