4-({1-[5-(oxolan-2-yl)thiophene-2-carbonyl]piperidin-4-yl}oxy)pyridine

• ChemBase ID: 344742
• Molecular Formular: C19H22N2O3S
• Molecular Mass: 358.45458
• Monoisotopic Mass: 358.13511357
• SMILES: c1(sc(cc1)C1OCCC1)C(=O)N1CCC(CC1)Oc1ccncc1
• Canonical SMILES: O=C(c1ccc(s1)C1CCCO1)N1CCC(CC1)Oc1ccncc1
• InChI: InChI=1S/C19H22N2O3S/c22-19(18-4-3-17(25-18)16-2-1-13-23-16)21-11-7-15(8-12-21)24-14-5-9-20-10-6-14/h3-6,9-10,15-16H,1-2,7-8,11-13H2
• InChIKey: WEPPMNDXEAIWJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({1-[5-(oxolan-2-yl)thiophene-2-carbonyl]piperidin-4-yl}oxy)pyridine
• IUPAC Traditional name: 4-({1-[5-(oxolan-2-yl)thiophene-2-carbonyl]piperidin-4-yl}oxy)pyridine
• Synonyms: 4-[(1-{[5-(tetrahydro-2-furanyl)-2-thienyl]carbonyl}-4-piperidinyl)oxy]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3722241
• LogD (pH = 7.4): 2.0495653
• Log P: 2.0924392
• Molar Refractivity: 96.2094 cm^3
• Polarizability: 37.03654 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.77
• LOG S: -3.33
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4