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

• ChemBase ID: 399237
• Molecular Formular: C13H21N5O2
• Molecular Mass: 279.33814
• Monoisotopic Mass: 279.16952494
• SMILES: o1c(nnc1NCCN1CC(C(=O)N)CCC1)C1CC1
• Canonical SMILES: NC(=O)C1CCCN(C1)CCNc1nnc(o1)C1CC1
• InChI: InChI=1S/C13H21N5O2/c14-11(19)10-2-1-6-18(8-10)7-5-15-13-17-16-12(20-13)9-3-4-9/h9-10H,1-8H2,(H2,14,19)(H,15,17)
• InChIKey: PSZQECSCVVVEEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.4537
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.1191235
• LogD (pH = 7.4): -1.3494331
• Log P: -0.54470533
• Molar Refractivity: 76.5598 cm^3
• Polarizability: 28.099432 Å^3
• Polar Surface Area: 97.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.93
• LOG S: -2.13
• Polar Surface Area: 97.28 Å^2
• Rotatable Bonds: 6