N-cyclopropyl-1-(5-phenoxyfuran-2-carbonyl)piperazine-2-carboxamide

• ChemBase ID: 415786
• Molecular Formular: C19H21N3O4
• Molecular Mass: 355.38774
• Monoisotopic Mass: 355.15320617
• SMILES: N1(C(=O)c2oc(cc2)Oc2ccccc2)C(C(=O)NC2CC2)CNCC1
• Canonical SMILES: O=C(C1CNCCN1C(=O)c1ccc(o1)Oc1ccccc1)NC1CC1
• InChI: InChI=1S/C19H21N3O4/c23-18(21-13-6-7-13)15-12-20-10-11-22(15)19(24)16-8-9-17(26-16)25-14-4-2-1-3-5-14/h1-5,8-9,13,15,20H,6-7,10-12H2,(H,21,23)
• InChIKey: LHADDLUQPNVVHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-(5-phenoxyfuran-2-carbonyl)piperazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-(5-phenoxyfuran-2-carbonyl)piperazine-2-carboxamide
• Synonyms: N-cyclopropyl-1-(5-phenoxy-2-furoyl)-2-piperazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.238998
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6143856
• LogD (pH = 7.4): 0.79105186
• Log P: 0.9573723
• Molar Refractivity: 93.3302 cm^3
• Polarizability: 36.41086 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.43
• LOG S: -3.01
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 5