1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-(morpholin-4-yl)butan-1-one

• ChemBase ID: 858241
• Molecular Formular: C20H30N2O4
• Molecular Mass: 362.4632
• Monoisotopic Mass: 362.22055745
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(cc1)OC)C(N1CCOCC1)CC
• Canonical SMILES: CCC(C(=O)N1CCC(CC1)Oc1ccc(cc1)OC)N1CCOCC1
• InChI: InChI=1S/C20H30N2O4/c1-3-19(21-12-14-25-15-13-21)20(23)22-10-8-18(9-11-22)26-17-6-4-16(24-2)5-7-17/h4-7,18-19H,3,8-15H2,1-2H3
• InChIKey: PEBUGSOSUWLMET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-(morpholin-4-yl)butan-1-one
• IUPAC Traditional name: 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-(morpholin-4-yl)butan-1-one
• Synonyms: 4-(1-{[4-(4-methoxyphenoxy)-1-piperidinyl]carbonyl}propyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.76915914
• LogD (pH = 7.4): 1.6387933
• Log P: 1.6758884
• Molar Refractivity: 100.2281 cm^3
• Polarizability: 39.43801 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.69
• LOG S: -4.14
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 6