4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine

C107H178N36O4S3 — CID 159743731

About 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine

4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 159743731) has the molecular formula C107H178N36O4S3 and a molecular weight of 2129.05 g/mol. Its IUPAC name is 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

• Compound Name: 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine
• PubChem CID: 159743731
• Molecular Formula: C107H178N36O4S3
• Molecular Weight: 2129.05 g/mol
• Exact Mass: 2127.40
• IUPAC Name: 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine
• SMILES: CCc1nc(C2CCN(C)CC2)n[nH]1.CN1CCC(c2ccn(C)n2)CC1.CN1CCC(c2ccon2)CC1.CN1CCC(c2cscn2)CC1.CN1CCC(c2ncco2)CC1.CN1CCC(c2nccs2)CC1.CN1CCC(c2ncn[nH]2)CC1.CN1CCC(c2ncns2)CC1.CN1CCC(c2nn[nH]n2)CC1.CN1CCC(c2nnco2)CC1.Cc1cn(C)nc1C1CCN(C)CC1.Cc1noc(C2CCN(C)CC2)n1
• InChI: InChI=1S/C11H19N3.C10H18N4.C10H17N3.C9H15N3O.2C9H14N2O.2C9H14N2S.C8H14N4.C8H13N3O.C8H13N3S.C7H13N5/c1-9-8-14(3)12-11(9)10-4-6-13(2)7-5-10;1-3-9-11-10(13-12-9)8-4-6-14(2)7-5-8;1-12-6-3-9(4-7-12)10-5-8-13(2)11-10;1-7-10-9(13-11-7)8-3-5-12(2)6-4-8;1-11-5-2-8(3-6-11)9-10-4-7-12-9;1-11-5-2-8(3-6-11)9-4-7-12-10-9;1-11-5-2-8(3-6-11)9-10-4-7-12-9;1-11-4-2-8(3-5-11)9-6-12-7-10-9;1-12-4-2-7(3-5-12)8-9-6-10-11-8;1-11-4-2-7(3-5-11)8-10-9-6-12-8;1-11-4-2-7(3-5-11)8-9-6-10-12-8;1-12-4-2-6(3-5-12)7-8-10-11-9-7/h8,10H,4-7H2,1-3H3;8H,3-7H2,1-2H3,(H,11,12,13);5,8-9H,3-4,6-7H2,1-2H3;8H,3-6H2,1-2H3;3*4,7-8H,2-3,5-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3,(H,9,10,11);2*6-7H,2-5H2,1H3;6H,2-5H2,1H3,(H,8,9,10,11)
• InChIKey: NCUBUAODWMRJBY-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 393.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 13
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2129.05
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?

The IUPAC name of 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine (CID 159743731) is 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine.

What is the SMILES notation for 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?

The canonical SMILES for 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine is CCc1nc(C2CCN(C)CC2)n[nH]1.CN1CCC(c2ccn(C)n2)CC1.CN1CCC(c2ccon2)CC1.CN1CCC(c2cscn2)CC1.CN1CCC(c2ncco2)CC1.CN1CCC(c2nccs2)CC1.CN1CCC(c2ncn[nH]2)CC1.CN1CCC(c2ncns2)CC1.CN1CCC(c2nn[nH]n2)CC1.CN1CCC(c2nnco2)CC1.Cc1cn(C)nc1C1CCN(C)CC1.Cc1noc(C2CCN(C)CC2)n1.

What is the InChIKey of 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?

The InChIKey is NCUBUAODWMRJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C10H18N4.C10H17N3.C9H15N3O.2C9H14N2O.2C9H14N2S.C8H14N4.C8H13N3O.C8H13N3S.C7H13N5/c1-9-8-14(3)12-11(9)10-4-6-13(2)7-5-10;1-3-9-11-10(13-12-9)8-4-6-14(2)7-5-8;1-12-6-3-9(4-7-12)10-5-8-13(2)11-10;1-7-10-9(13-11-7)8-3-5-12(2)6-4-8;1-11-5-2-8(3-6-11)9-10-4-7-12-9;1-11-5-2-8(3-6-11)9-4-7-12-10-9;1-11-5-2-8(3-6-11)9-10-4-7-12-9;1-11-4-2-8(3-5-11)9-6-12-7-10-9;1-12-4-2-7(3-5-12)8-9-6-10-11-8;1-11-4-2-7(3-5-11)8-10-9-6-12-8;1-11-4-2-7(3-5-11)8-9-6-10-12-8;1-12-4-2-6(3-5-12)7-8-10-11-9-7/h8,10H,4-7H2,1-3H3;8H,3-7H2,1-2H3,(H,11,12,13);5,8-9H,3-4,6-7H2,1-2H3;8H,3-6H2,1-2H3;3*4,7-8H,2-3,5-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3,(H,9,10,11);2*6-7H,2-5H2,1H3;6H,2-5H2,1H3,(H,8,9,10,11).

What are the key properties of 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine?

4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 2129.05 g/mol, XLogP of 14.85, 13 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,4-dimethylpyrazol-3-yl)-1-methylpiperidine;4-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methylpiperidine;3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole;1-methyl-4-(1-methylpyrazol-3-yl)piperidine;2-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole;2-(1-methylpiperidin-4-yl)-1,3-oxazole;3-(1-methylpiperidin-4-yl)-1,2-oxazole;5-(1-methylpiperidin-4-yl)-1,2,4-thiadiazole;2-(1-methylpiperidin-4-yl)-1,3-thiazole;4-(1-methylpiperidin-4-yl)-1,3-thiazole;1-methyl-4-(2H-tetrazol-5-yl)piperidine;1-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 159743731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).