N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(piperidin-4-ylmethyl)benzamide

• ChemBase ID: 401057
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: n1c(noc1C)CN(C(=O)c1cc(CC2CCNCC2)ccc1)C
• Canonical SMILES: Cc1onc(n1)CN(C(=O)c1cccc(c1)CC1CCNCC1)C
• InChI: InChI=1S/C18H24N4O2/c1-13-20-17(21-24-13)12-22(2)18(23)16-5-3-4-15(11-16)10-14-6-8-19-9-7-14/h3-5,11,14,19H,6-10,12H2,1-2H3
• InChIKey: WTBLGFJRGVMACR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(piperidin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(piperidin-4-ylmethyl)benzamide
• Synonyms: N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-piperidinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4296211
• LogD (pH = 7.4): -0.8883703
• Log P: 1.9255239
• Molar Refractivity: 94.1319 cm^3
• Polarizability: 35.08519 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.83
• LOG S: -2.3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5