N-cyclopropyl-3-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]propanamide

• ChemBase ID: 552349
• Molecular Formular: C22H26N2O4
• Molecular Mass: 382.45284
• Monoisotopic Mass: 382.18925732
• SMILES: c1(C(=O)N2CC(CCC(=O)NC3CC3)CCC2)oc(cc1)Oc1ccccc1
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)C(=O)c1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C22H26N2O4/c25-20(23-17-9-10-17)12-8-16-5-4-14-24(15-16)22(26)19-11-13-21(28-19)27-18-6-2-1-3-7-18/h1-3,6-7,11,13,16-17H,4-5,8-10,12,14-15H2,(H,23,25)
• InChIKey: VXEVIVDQMNFSGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[1-(5-phenoxyfuran-2-carbonyl)piperidin-3-yl]propanamide
• Synonyms: N-cyclopropyl-3-[1-(5-phenoxy-2-furoyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.904395
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5875955
• LogD (pH = 7.4): 2.5875955
• Log P: 2.5875957
• Molar Refractivity: 104.2259 cm^3
• Polarizability: 40.388268 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.17
• LOG S: -5.08
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 7