3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate

C117H195F5N28O10 — CID 161056210

About 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate

3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate (PubChem CID 161056210) has the molecular formula C117H195F5N28O10 and a molecular weight of 2249.02 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate
• PubChem CID: 161056210
• Molecular Formula: C117H195F5N28O10
• Molecular Weight: 2249.02 g/mol
• Exact Mass: 2247.55
• IUPAC Name: 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate
• SMILES: CC(C)COC(=O)N1CCN(C)CC1.CC(C)OC(=O)N1CCN(C)CC1.CC(C)c1cc(C2CCN(C)CC2)on1.CC(C)c1coc(C2CCN(C)CC2)n1.CC(C)c1noc(C2CCN(C)CC2)n1.CCOC(=O)N1CCN(C)CC1.CCc1cnc(C2CCN(C)CC2)cn1.CCc1cnc(C2CCN(C)CC2)nc1.CN1CCC(c2nc(C(F)F)no2)CC1.CN1CCC(c2ncc(C(F)(F)F)cn2)CC1.Cc1cnc(C2CCN(C)CC2)cn1
• InChI: InChI=1S/2C12H19N3.2C12H20N2O.C11H14F3N3.C11H19N3O.C11H17N3.C10H20N2O2.C9H13F2N3O.C9H18N2O2.C8H16N2O2/c1-3-11-8-14-12(9-13-11)10-4-6-15(2)7-5-10;1-3-10-8-13-12(14-9-10)11-4-6-15(2)7-5-11;1-9(2)11-8-15-12(13-11)10-4-6-14(3)7-5-10;1-9(2)11-8-12(15-13-11)10-4-6-14(3)7-5-10;1-17-4-2-8(3-5-17)10-15-6-9(7-16-10)11(12,13)14;1-8(2)10-12-11(15-13-10)9-4-6-14(3)7-5-9;1-9-7-13-11(8-12-9)10-3-5-14(2)6-4-10;1-9(2)8-14-10(13)12-6-4-11(3)5-7-12;1-14-4-2-6(3-5-14)9-12-8(7(10)11)13-15-9;1-8(2)13-9(12)11-6-4-10(3)5-7-11;1-3-12-8(11)10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;2*8-10H,4-7H2,1-3H3;6-8H,2-5H2,1H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;9H,4-8H2,1-3H3;6-7H,2-5H2,1H3;8H,4-7H2,1-3H3;3-7H2,1-2H3
• InChIKey: UCUAVJXOECCERD-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 357.28 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2249.02
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate?

The IUPAC name of 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate (CID 161056210) is 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate.

What is the SMILES notation for 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate?

The canonical SMILES for 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate is CC(C)COC(=O)N1CCN(C)CC1.CC(C)OC(=O)N1CCN(C)CC1.CC(C)c1cc(C2CCN(C)CC2)on1.CC(C)c1coc(C2CCN(C)CC2)n1.CC(C)c1noc(C2CCN(C)CC2)n1.CCOC(=O)N1CCN(C)CC1.CCc1cnc(C2CCN(C)CC2)cn1.CCc1cnc(C2CCN(C)CC2)nc1.CN1CCC(c2nc(C(F)F)no2)CC1.CN1CCC(c2ncc(C(F)(F)F)cn2)CC1.Cc1cnc(C2CCN(C)CC2)cn1.

What is the InChIKey of 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate?

The InChIKey is UCUAVJXOECCERD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H19N3.2C12H20N2O.C11H14F3N3.C11H19N3O.C11H17N3.C10H20N2O2.C9H13F2N3O.C9H18N2O2.C8H16N2O2/c1-3-11-8-14-12(9-13-11)10-4-6-15(2)7-5-10;1-3-10-8-13-12(14-9-10)11-4-6-15(2)7-5-11;1-9(2)11-8-15-12(13-11)10-4-6-14(3)7-5-10;1-9(2)11-8-12(15-13-11)10-4-6-14(3)7-5-10;1-17-4-2-8(3-5-17)10-15-6-9(7-16-10)11(12,13)14;1-8(2)10-12-11(15-13-10)9-4-6-14(3)7-5-9;1-9-7-13-11(8-12-9)10-3-5-14(2)6-4-10;1-9(2)8-14-10(13)12-6-4-11(3)5-7-12;1-14-4-2-6(3-5-14)9-12-8(7(10)11)13-15-9;1-8(2)13-9(12)11-6-4-10(3)5-7-11;1-3-12-8(11)10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3;8-9,11H,3-7H2,1-2H3;2*8-10H,4-7H2,1-3H3;6-8H,2-5H2,1H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;9H,4-8H2,1-3H3;6-7H,2-5H2,1H3;8H,4-7H2,1-3H3;3-7H2,1-2H3.

What are the key properties of 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate?

3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate has a molecular weight of 2249.02 g/mol, XLogP of 18.82, 18 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;ethyl 4-methylpiperazine-1-carboxylate;2-ethyl-5-(1-methylpiperidin-4-yl)pyrazine;5-ethyl-2-(1-methylpiperidin-4-yl)pyrimidine;2-methyl-5-(1-methylpiperidin-4-yl)pyrazine;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole;2-(1-methylpiperidin-4-yl)-4-propan-2-yl-1,3-oxazole;5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1,2-oxazole;2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine;2-methylpropyl 4-methylpiperazine-1-carboxylate;propan-2-yl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 161056210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).