N,2,2,6,6-pentamethyl-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-amine

• ChemBase ID: 339978
• Molecular Formular: C18H27N5O
• Molecular Mass: 329.43988
• Monoisotopic Mass: 329.22156051
• SMILES: n1c(noc1CN(C1CC(NC(C1)(C)C)(C)C)C)c1ncccc1
• Canonical SMILES: CN(C1CC(C)(C)NC(C1)(C)C)Cc1onc(n1)c1ccccn1
• InChI: InChI=1S/C18H27N5O/c1-17(2)10-13(11-18(3,4)22-17)23(5)12-15-20-16(21-24-15)14-8-6-7-9-19-14/h6-9,13,22H,10-12H2,1-5H3
• InChIKey: QYNFYQIHOXLIKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,2,6,6-pentamethyl-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-amine
• IUPAC Traditional name: N,2,2,6,6-pentamethyl-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-amine
• Synonyms: N,2,2,6,6-pentamethyl-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.2752924
• LogD (pH = 7.4): -0.8682004
• Log P: 2.1577663
• Molar Refractivity: 105.6964 cm^3
• Polarizability: 37.411766 Å^3
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.92
• LOG S: -2.29
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 4