1-methyl-5-{[1-(3-phenylphenyl)piperidin-4-yl]amino}piperidin-2-one

• ChemBase ID: 582954
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: N1(C(=O)CCC(C1)NC1CCN(c2cc(c3ccccc3)ccc2)CC1)C
• Canonical SMILES: O=C1CCC(CN1C)NC1CCN(CC1)c1cccc(c1)c1ccccc1
• InChI: InChI=1S/C23H29N3O/c1-25-17-21(10-11-23(25)27)24-20-12-14-26(15-13-20)22-9-5-8-19(16-22)18-6-3-2-4-7-18/h2-9,16,20-21,24H,10-15,17H2,1H3
• InChIKey: GJVBOSPZLJKCOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-{[1-(3-phenylphenyl)piperidin-4-yl]amino}piperidin-2-one
• IUPAC Traditional name: 1-methyl-5-{[1-(3-phenylphenyl)piperidin-4-yl]amino}piperidin-2-one
• Synonyms: 5-{[1-(3-biphenylyl)-4-piperidinyl]amino}-1-methyl-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3211374
• LogD (pH = 7.4): 0.5709902
• Log P: 2.904582
• Molar Refractivity: 110.635 cm^3
• Polarizability: 44.01491 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.54
• LOG S: -4.87
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4