4-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine

• ChemBase ID: 341720
• Molecular Formular: C18H20N2O3
• Molecular Mass: 312.363
• Monoisotopic Mass: 312.14739251
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(cc1)OC)c1ccncc1
• Canonical SMILES: COc1ccc(cc1)OC1CCN(CC1)C(=O)c1ccncc1
• InChI: InChI=1S/C18H20N2O3/c1-22-15-2-4-16(5-3-15)23-17-8-12-20(13-9-17)18(21)14-6-10-19-11-7-14/h2-7,10-11,17H,8-9,12-13H2,1H3
• InChIKey: QCSPHRPNTOZIMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine
• IUPAC Traditional name: 4-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine
• Synonyms: 4-{[4-(4-methoxyphenoxy)-1-piperidinyl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5452355
• LogD (pH = 7.4): 1.5480695
• Log P: 1.5481057
• Molar Refractivity: 87.2203 cm^3
• Polarizability: 33.532173 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: 1.33
• LOG S: -2.61
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4