[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl](ethyl){[1-(propan-2-yl)piperidin-4-yl]methyl}amine

• ChemBase ID: 707004
• Molecular Formular: C18H32N4O
• Molecular Mass: 320.47288
• Monoisotopic Mass: 320.25761166
• SMILES: n1c(noc1C1CCC1)CN(CC1CCN(CC1)C(C)C)CC
• Canonical SMILES: CCN(Cc1noc(n1)C1CCC1)CC1CCN(CC1)C(C)C
• InChI: InChI=1S/C18H32N4O/c1-4-21(12-15-8-10-22(11-9-15)14(2)3)13-17-19-18(23-20-17)16-6-5-7-16/h14-16H,4-13H2,1-3H3
• InChIKey: BTTBQYVIOLWMED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl](ethyl){[1-(propan-2-yl)piperidin-4-yl]methyl}amine
• IUPAC Traditional name: [(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl](ethyl)[(1-isopropylpiperidin-4-yl)methyl]amine
• Synonyms: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-isopropylpiperidin-4-yl)methyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6451097
• LogD (pH = 7.4): 0.680151
• Log P: 3.1119497
• Molar Refractivity: 95.3535 cm^3
• Polarizability: 36.414257 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.97
• LOG S: -3.06
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 7