4-{1-[1-(3-fluorobenzoyl)piperidin-4-yl]piperidine-3-carbonyl}morpholine

• ChemBase ID: 527642
• Molecular Formular: C22H30FN3O3
• Molecular Mass: 403.4903032
• Monoisotopic Mass: 403.22712006
• SMILES: C(=O)(C1CN(C2CCN(C(=O)c3cc(F)ccc3)CC2)CCC1)N1CCOCC1
• Canonical SMILES: Fc1cccc(c1)C(=O)N1CCC(CC1)N1CCCC(C1)C(=O)N1CCOCC1
• InChI: InChI=1S/C22H30FN3O3/c23-19-5-1-3-17(15-19)21(27)24-9-6-20(7-10-24)26-8-2-4-18(16-26)22(28)25-11-13-29-14-12-25/h1,3,5,15,18,20H,2,4,6-14,16H2
• InChIKey: GCVNMFIQFVDZMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(3-fluorobenzoyl)piperidin-4-yl]piperidine-3-carbonyl}morpholine
• IUPAC Traditional name: 4-{1-[1-(3-fluorobenzoyl)piperidin-4-yl]piperidine-3-carbonyl}morpholine
• Synonyms: 1'-(3-fluorobenzoyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.2821279
• LogD (pH = 7.4): -0.9641227
• Log P: 1.0916735
• Molar Refractivity: 109.5153 cm^3
• Polarizability: 41.722572 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.28
• LOG S: -3.23
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3