1-(furan-2-carbonyl)-3-(4-phenoxybenzoyl)piperidine

• ChemBase ID: 659710
• Molecular Formular: C23H21NO4
• Molecular Mass: 375.41714
• Monoisotopic Mass: 375.14705816
• SMILES: N1(C(=O)c2occc2)CC(C(=O)c2ccc(Oc3ccccc3)cc2)CCC1
• Canonical SMILES: O=C(c1ccc(cc1)Oc1ccccc1)C1CCCN(C1)C(=O)c1ccco1
• InChI: InChI=1S/C23H21NO4/c25-22(17-10-12-20(13-11-17)28-19-7-2-1-3-8-19)18-6-4-14-24(16-18)23(26)21-9-5-15-27-21/h1-3,5,7-13,15,18H,4,6,14,16H2
• InChIKey: HRSMNNWEZIOGMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-carbonyl)-3-(4-phenoxybenzoyl)piperidine
• IUPAC Traditional name: 1-(furan-2-carbonyl)-3-(4-phenoxybenzoyl)piperidine
• Synonyms: [1-(2-furoyl)-3-piperidinyl](4-phenoxyphenyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.497072
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8150291
• LogD (pH = 7.4): 3.8150291
• Log P: 3.8150291
• Molar Refractivity: 105.6065 cm^3
• Polarizability: 40.325684 Å^3
• Polar Surface Area: 59.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.23
• LOG S: -4.6
• Polar Surface Area: 59.75 Å^2
• Rotatable Bonds: 5