4-(2-methoxyphenoxy)-1-[3-(piperidin-3-yl)benzoyl]piperidine

• ChemBase ID: 817614
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: C(=O)(N1CCC(Oc2c(OC)cccc2)CC1)c1cc(C2CNCCC2)ccc1
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)C(=O)c1cccc(c1)C1CCCNC1
• InChI: InChI=1S/C24H30N2O3/c1-28-22-9-2-3-10-23(22)29-21-11-14-26(15-12-21)24(27)19-7-4-6-18(16-19)20-8-5-13-25-17-20/h2-4,6-7,9-10,16,20-21,25H,5,8,11-15,17H2,1H3
• InChIKey: JDCNMDIGVGCQAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenoxy)-1-[3-(piperidin-3-yl)benzoyl]piperidine
• IUPAC Traditional name: 4-(2-methoxyphenoxy)-1-[3-(piperidin-3-yl)benzoyl]piperidine
• Synonyms: 4-(2-methoxyphenoxy)-1-(3-piperidin-3-ylbenzoyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.26727006
• LogD (pH = 7.4): 0.4760317
• Log P: 2.9487967
• Molar Refractivity: 114.7212 cm^3
• Polarizability: 44.35585 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.78
• LOG S: -4.45
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5