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

• ChemBase ID: 402840
• Molecular Formular: C15H26N4O2
• Molecular Mass: 294.39254
• Monoisotopic Mass: 294.20557609
• SMILES: n1c(noc1C)CCN(C(=O)CCC1N(C)CCCC1)C
• Canonical SMILES: CN1CCCCC1CCC(=O)N(CCc1noc(n1)C)C
• InChI: InChI=1S/C15H26N4O2/c1-12-16-14(17-21-12)9-11-19(3)15(20)8-7-13-6-4-5-10-18(13)2/h13H,4-11H2,1-3H3
• InChIKey: PSAUMDCVILBWJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3315682
• LogD (pH = 7.4): -0.87545335
• Log P: 1.119327
• Molar Refractivity: 82.8344 cm^3
• Polarizability: 31.324814 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.47
• LOG S: -1.75
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6