N3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 561299
• Molecular Formular: C16H25N5O3
• Molecular Mass: 335.4014
• Monoisotopic Mass: 335.19573969
• SMILES: n1c(onc1CCNC(=O)C1CN(C(=O)N)CCC1)C1CCCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C16H25N5O3/c17-16(23)21-9-3-6-12(10-21)14(22)18-8-7-13-19-15(24-20-13)11-4-1-2-5-11/h11-12H,1-10H2,(H2,17,23)(H,18,22)
• InChIKey: KTJGQNGDDYSUIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.92792
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.840659
• LogD (pH = 7.4): 0.84065914
• Log P: 0.84065914
• Molar Refractivity: 88.3635 cm^3
• Polarizability: 33.337585 Å^3
• Polar Surface Area: 114.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.89
• LOG S: -2.2
• Polar Surface Area: 114.35 Å^2
• Rotatable Bonds: 5