N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 571241
• Molecular Formular: C18H26N4O3
• Molecular Mass: 346.42404
• Monoisotopic Mass: 346.20049071
• SMILES: c1(nnc(o1)CC)CN(C(=O)C1CN(Cc2occc2)CCC1)CC
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)Cc1ccco1)Cc1nnc(o1)CC
• InChI: InChI=1S/C18H26N4O3/c1-3-16-19-20-17(25-16)13-22(4-2)18(23)14-7-5-9-21(11-14)12-15-8-6-10-24-15/h6,8,10,14H,3-5,7,9,11-13H2,1-2H3
• InChIKey: PUMCQRFKCHTIEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-furylmethyl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.0021555
• LogD (pH = 7.4): -0.23901165
• Log P: 0.8038047
• Molar Refractivity: 95.5165 cm^3
• Polarizability: 35.956047 Å^3
• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.76
• LOG S: -2.38
• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 7