4-{1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl}pyridine

• ChemBase ID: 541796
• Molecular Formular: C15H21N3OS
• Molecular Mass: 291.41174
• Monoisotopic Mass: 291.14053331
• SMILES: C(=O)([C@H]1N(CSC1)C)N1CCC(CC1)c1ccncc1
• Canonical SMILES: CN1CSC[C@H]1C(=O)N1CCC(CC1)c1ccncc1
• InChI: InChI=1S/C15H21N3OS/c1-17-11-20-10-14(17)15(19)18-8-4-13(5-9-18)12-2-6-16-7-3-12/h2-3,6-7,13-14H,4-5,8-11H2,1H3/t14-/m0/s1
• InChIKey: RQCPALJIVIZNSR-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl}pyridine
• IUPAC Traditional name: 4-{1-[(4R)-3-methyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl}pyridine
• Synonyms: 4-(1-{[(4R)-3-methyl-1,3-thiazolidin-4-yl]carbonyl}-4-piperidinyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5157664
• LogD (pH = 7.4): 0.8351472
• Log P: 0.84023666
• Molar Refractivity: 82.3631 cm^3
• Polarizability: 32.186142 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.07
• LOG S: -0.94
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2