4-({1-[4-(piperidin-1-yl)benzoyl]piperidin-4-yl}methyl)morpholine

• ChemBase ID: 840972
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: C(=O)(N1CCC(CN2CCOCC2)CC1)c1ccc(N2CCCCC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCCCC1)N1CCC(CC1)CN1CCOCC1
• InChI: InChI=1S/C22H33N3O2/c26-22(20-4-6-21(7-5-20)24-10-2-1-3-11-24)25-12-8-19(9-13-25)18-23-14-16-27-17-15-23/h4-7,19H,1-3,8-18H2
• InChIKey: AUFXADZUYBYDGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({1-[4-(piperidin-1-yl)benzoyl]piperidin-4-yl}methyl)morpholine
• IUPAC Traditional name: 4-({1-[4-(piperidin-1-yl)benzoyl]piperidin-4-yl}methyl)morpholine
• Synonyms: 4-({1-[4-(1-piperidinyl)benzoyl]-4-piperidinyl}methyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.14378607
• LogD (pH = 7.4): 1.9028126
• Log P: 2.4985547
• Molar Refractivity: 110.844 cm^3
• Polarizability: 41.953358 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.72
• LOG S: -3.38
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4