2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate

C26H36F3N7O5 — CID 175932517

About 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate

2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate (PubChem CID 175932517) has the molecular formula C26H36F3N7O5 and a molecular weight of 583.61 g/mol. Its IUPAC name is 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate.

Molecular Properties

• Compound Name: 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate
• PubChem CID: 175932517
• Molecular Formula: C26H36F3N7O5
• Molecular Weight: 583.61 g/mol
• Exact Mass: 583.27
• IUPAC Name: 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate
• SMILES: CC1CCC(c2ccnn2C)N(C(=O)C(=O)OCC(F)(F)F)C1.C[C@@H]1CC[C@H](c2ccnn2C)N(C(=O)C(N)=O)C1
• InChI: InChI=1S/C14H18F3N3O3.C12H18N4O2/c1-9-3-4-11(10-5-6-18-19(10)2)20(7-9)12(21)13(22)23-8-14(15,16)17;1-8-3-4-10(9-5-6-14-15(9)2)16(7-8)12(18)11(13)17/h5-6,9,11H,3-4,7-8H2,1-2H3;5-6,8,10H,3-4,7H2,1-2H3,(H2,13,17)/t;8-,10-/m.1/s1
• InChIKey: ZBUSCONFNVLWSD-JMJJSJTHSA-N
• XLogP: 2.03
• TPSA: 145.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.61
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate?

The IUPAC name of 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate (CID 175932517) is 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate.

What is the SMILES notation for 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate?

The canonical SMILES for 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate is CC1CCC(c2ccnn2C)N(C(=O)C(=O)OCC(F)(F)F)C1.C[C@@H]1CC[C@H](c2ccnn2C)N(C(=O)C(N)=O)C1.

What is the InChIKey of 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate?

The InChIKey is ZBUSCONFNVLWSD-JMJJSJTHSA-N. The full InChI is InChI=1S/C14H18F3N3O3.C12H18N4O2/c1-9-3-4-11(10-5-6-18-19(10)2)20(7-9)12(21)13(22)23-8-14(15,16)17;1-8-3-4-10(9-5-6-14-15(9)2)16(7-8)12(18)11(13)17/h5-6,9,11H,3-4,7-8H2,1-2H3;5-6,8,10H,3-4,7H2,1-2H3,(H2,13,17)/t;8-,10-/m.1/s1.

What are the key properties of 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate?

2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate has a molecular weight of 583.61 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide;2,2,2-trifluoroethyl 2-[5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 175932517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).