N-ethyl-4-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]piperidine-1-carboxamide

• ChemBase ID: 843572
• Molecular Formular: C13H23N5O2
• Molecular Mass: 281.35402
• Monoisotopic Mass: 281.185175
• SMILES: c1(oc(nn1)CCC)NC1CCN(C(=O)NCC)CC1
• Canonical SMILES: CCNC(=O)N1CCC(CC1)Nc1nnc(o1)CCC
• InChI: InChI=1S/C13H23N5O2/c1-3-5-11-16-17-12(20-11)15-10-6-8-18(9-7-10)13(19)14-4-2/h10H,3-9H2,1-2H3,(H,14,19)(H,15,17)
• InChIKey: UMQPJJRZXBYYMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]piperidine-1-carboxamide
• IUPAC Traditional name: N-ethyl-4-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]piperidine-1-carboxamide
• Synonyms: N-ethyl-4-[(5-propyl-1,3,4-oxadiazol-2-yl)amino]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.402382
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.11948085
• LogD (pH = 7.4): -0.1195192
• Log P: -0.11947814
• Molar Refractivity: 78.3636 cm^3
• Polarizability: 28.440157 Å^3
• Polar Surface Area: 83.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.26
• LOG S: -2.33
• Polar Surface Area: 83.29 Å^2
• Rotatable Bonds: 5