1-({ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}methyl)piperidine-4-carboxamide

• ChemBase ID: 844886
• Molecular Formular: C15H25N5O3
• Molecular Mass: 323.3907
• Monoisotopic Mass: 323.19573969
• SMILES: c1(nnc(o1)CC)CN(C(=O)CN1CCC(C(=O)N)CC1)CC
• Canonical SMILES: CCN(C(=O)CN1CCC(CC1)C(=O)N)Cc1nnc(o1)CC
• InChI: InChI=1S/C15H25N5O3/c1-3-12-17-18-13(23-12)9-20(4-2)14(21)10-19-7-5-11(6-8-19)15(16)22/h11H,3-10H2,1-2H3,(H2,16,22)
• InChIKey: AFTJZMUEXJQATH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}methyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-({ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]carbamoyl}methyl)piperidine-4-carboxamide
• Synonyms: 1-(2-{ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino}-2-oxoethyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.935371
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.210184
• LogD (pH = 7.4): -1.6957551
• Log P: -1.4657818
• Molar Refractivity: 86.5738 cm^3
• Polarizability: 32.591835 Å^3
• Polar Surface Area: 105.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.4
• LOG S: -2.53
• Polar Surface Area: 105.56 Å^2
• Rotatable Bonds: 7