5-(4-benzylpiperidine-1-carbonyl)-1-[2-(morpholin-4-yl)ethyl]piperidin-2-one

• ChemBase ID: 364434
• Molecular Formular: C24H35N3O3
• Molecular Mass: 413.553
• Monoisotopic Mass: 413.267842
• SMILES: N1(C(=O)CCC(C(=O)N2CCC(Cc3ccccc3)CC2)C1)CCN1CCOCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCN1CCOCC1)N1CCC(CC1)Cc1ccccc1
• InChI: InChI=1S/C24H35N3O3/c28-23-7-6-22(19-27(23)13-12-25-14-16-30-17-15-25)24(29)26-10-8-21(9-11-26)18-20-4-2-1-3-5-20/h1-5,21-22H,6-19H2
• InChIKey: IACXGWADHWTLGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-benzylpiperidine-1-carbonyl)-1-[2-(morpholin-4-yl)ethyl]piperidin-2-one
• IUPAC Traditional name: 5-(4-benzylpiperidine-1-carbonyl)-1-[2-(morpholin-4-yl)ethyl]piperidin-2-one
• Synonyms: 5-[(4-benzyl-1-piperidinyl)carbonyl]-1-[2-(4-morpholinyl)ethyl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.74374324
• LogD (pH = 7.4): 1.588951
• Log P: 1.6235988
• Molar Refractivity: 117.9373 cm^3
• Polarizability: 45.85047 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.48
• LOG S: -0.98
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 6