1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

• ChemBase ID: 497500
• Molecular Formular: C20H32N4O3
• Molecular Mass: 376.49308
• Monoisotopic Mass: 376.2474409
• SMILES: N1(C(=O)CCC(C(=O)N(Cc2nc(no2)CCC)C)C1)CC1CCCCC1
• Canonical SMILES: CCCc1noc(n1)CN(C(=O)C1CCC(=O)N(C1)CC1CCCCC1)C
• InChI: InChI=1S/C20H32N4O3/c1-3-7-17-21-18(27-22-17)14-23(2)20(26)16-10-11-19(25)24(13-16)12-15-8-5-4-6-9-15/h15-16H,3-14H2,1-2H3
• InChIKey: LTNUYHDCINJXPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• Synonyms: 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4896445
• LogD (pH = 7.4): 2.489645
• Log P: 2.489645
• Molar Refractivity: 103.6101 cm^3
• Polarizability: 39.50456 Å^3
• Polar Surface Area: 79.54 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: 2.23
• LOG S: -2.48
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 5