N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-methylpiperidin-3-yl)propanamide

• ChemBase ID: 461160
• Molecular Formular: C14H24N4O2
• Molecular Mass: 280.36596
• Monoisotopic Mass: 280.18992603
• SMILES: n1c(onc1C)CN(C(=O)CCC1CN(CCC1)C)C
• Canonical SMILES: CN1CCCC(C1)CCC(=O)N(Cc1onc(n1)C)C
• InChI: InChI=1S/C14H24N4O2/c1-11-15-13(20-16-11)10-18(3)14(19)7-6-12-5-4-8-17(2)9-12/h12H,4-10H2,1-3H3
• InChIKey: NDUXTHUBHWHLCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-methylpiperidin-3-yl)propanamide
• IUPAC Traditional name: N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-methylpiperidin-3-yl)propanamide
• Synonyms: N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-methyl-3-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4894366
• LogD (pH = 7.4): -0.8704688
• Log P: 0.8259829
• Molar Refractivity: 78.2648 cm^3
• Polarizability: 29.488699 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.18
• LOG S: -2.71
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5