5-{4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl}-1-[2-(morpholin-4-yl)ethyl]piperidin-2-one

• ChemBase ID: 422062
• Molecular Formular: C24H34FN3O3
• Molecular Mass: 431.5434632
• Monoisotopic Mass: 431.25842018
• SMILES: N1(C(=O)CCC(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C1)CCN1CCOCC1
• Canonical SMILES: Fc1ccc(cc1)CC1CCN(CC1)C(=O)C1CCC(=O)N(C1)CCN1CCOCC1
• InChI: InChI=1S/C24H34FN3O3/c25-22-4-1-19(2-5-22)17-20-7-9-27(10-8-20)24(30)21-3-6-23(29)28(18-21)12-11-26-13-15-31-16-14-26/h1-2,4-5,20-21H,3,6-18H2
• InChIKey: DRRPNUJNCWOBLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl}-1-[2-(morpholin-4-yl)ethyl]piperidin-2-one
• IUPAC Traditional name: 5-{4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl}-1-[2-(morpholin-4-yl)ethyl]piperidin-2-one
• Synonyms: 5-{[4-(4-fluorobenzyl)-1-piperidinyl]carbonyl}-1-[2-(4-morpholinyl)ethyl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.88644516
• LogD (pH = 7.4): 1.731653
• Log P: 1.7663008
• Molar Refractivity: 118.1537 cm^3
• Polarizability: 45.529594 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: 2.41
• LOG S: -1.39
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 6