1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-2-(morpholin-2-yl)ethan-1-one

• ChemBase ID: 571922
• Molecular Formular: C22H34N4O2
• Molecular Mass: 386.53096
• Monoisotopic Mass: 386.26817635
• SMILES: C(=O)(N1CCC(N2CCN(Cc3ccccc3)CC2)CC1)CC1OCCNC1
• Canonical SMILES: O=C(N1CCC(CC1)N1CCN(CC1)Cc1ccccc1)CC1CNCCO1
• InChI: InChI=1S/C22H34N4O2/c27-22(16-21-17-23-8-15-28-21)26-9-6-20(7-10-26)25-13-11-24(12-14-25)18-19-4-2-1-3-5-19/h1-5,20-21,23H,6-18H2
• InChIKey: ALTVQXPCGFSUBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-2-(morpholin-2-yl)ethan-1-one
• IUPAC Traditional name: 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-2-(morpholin-2-yl)ethanone
• Synonyms: 2-{2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -5.1309237
• LogD (pH = 7.4): -1.7131926
• Log P: 0.6021925
• Molar Refractivity: 111.9515 cm^3
• Polarizability: 44.08762 Å^3
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.18
• LOG S: -3.17
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 5