N-[3-(furan-2-yl)phenyl]-1-(morpholine-2-carbonyl)piperidine-4-carboxamide

• ChemBase ID: 564708
• Molecular Formular: C21H25N3O4
• Molecular Mass: 383.4409
• Monoisotopic Mass: 383.1845063
• SMILES: C(=O)(N1CCC(C(=O)Nc2cc(c3occc3)ccc2)CC1)C1OCCNC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CNCCO1)Nc1cccc(c1)c1ccco1
• InChI: InChI=1S/C21H25N3O4/c25-20(23-17-4-1-3-16(13-17)18-5-2-11-27-18)15-6-9-24(10-7-15)21(26)19-14-22-8-12-28-19/h1-5,11,13,15,19,22H,6-10,12,14H2,(H,23,25)
• InChIKey: WNCYNWQLPQRWQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)phenyl]-1-(morpholine-2-carbonyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-yl)phenyl]-1-(morpholine-2-carbonyl)piperidine-4-carboxamide
• Synonyms: N-[3-(2-furyl)phenyl]-1-(morpholin-2-ylcarbonyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.778082
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0594788
• LogD (pH = 7.4): 0.6369139
• Log P: 1.1338547
• Molar Refractivity: 105.3997 cm^3
• Polarizability: 41.567394 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.07
• LOG S: -2.91
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 4