1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(pyridin-4-yl)propan-1-one

• ChemBase ID: 537502
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: N1(C(=O)CCc2ccncc2)CCC(CC1)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OC1CCN(CC1)C(=O)CCc1ccncc1
• InChI: InChI=1S/C20H24N2O3/c1-24-17-3-5-18(6-4-17)25-19-10-14-22(15-11-19)20(23)7-2-16-8-12-21-13-9-16/h3-6,8-9,12-13,19H,2,7,10-11,14-15H2,1H3
• InChIKey: RAAJDVRZEZSSEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(pyridin-4-yl)propan-1-one
• IUPAC Traditional name: 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(pyridin-4-yl)propan-1-one
• Synonyms: 4-{3-[4-(4-methoxyphenoxy)-1-piperidinyl]-3-oxopropyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.856274
• LogD (pH = 7.4): 1.9710988
• Log P: 1.9728398
• Molar Refractivity: 95.8727 cm^3
• Polarizability: 37.426765 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.61
• LOG S: -2.61
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6