2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone

C88H166N14O16 — CID 159369961

About 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone

2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone (PubChem CID 159369961) has the molecular formula C88H166N14O16 and a molecular weight of 1676.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone
• PubChem CID: 159369961
• Molecular Formula: C88H166N14O16
• Molecular Weight: 1676.38 g/mol
• Exact Mass: 1675.26
• IUPAC Name: 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone
• SMILES: CC(=O)N1CCNC(C)C1.CCC(CC)N1CCN(C(=O)C(C)(C)C)CC1.CCOC(=O)C(C)N1CCN(C(=O)C(C)(C)C)CC1.CCOC(=O)CC1CCN(C(=O)C(C)(C)C)CC1.CCOC(=O)CCN1CCN(C(=O)C(C)(C)C)CC1.CCOC(=O)N1CCN(C(=O)C(C)(C)C)CC1.CN(C)C(=O)CN1CCN(C(=O)C(C)(C)C)CC1
• InChI: InChI=1S/2C14H26N2O3.C14H28N2O.C14H25NO3.C13H25N3O2.C12H22N2O3.C7H14N2O/c1-6-19-12(17)11(2)15-7-9-16(10-8-15)13(18)14(3,4)5;1-5-19-12(17)6-7-15-8-10-16(11-9-15)13(18)14(2,3)4;1-6-12(7-2)15-8-10-16(11-9-15)13(17)14(3,4)5;1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)14(2,3)4;1-13(2,3)12(18)16-8-6-15(7-9-16)10-11(17)14(4)5;1-5-17-11(16)14-8-6-13(7-9-14)10(15)12(2,3)4;1-6-5-9(7(2)10)4-3-8-6/h11H,6-10H2,1-5H3;5-11H2,1-4H3;12H,6-11H2,1-5H3;11H,5-10H2,1-4H3;6-10H2,1-5H3;5-9H2,1-4H3;6,8H,3-5H2,1-2H3
• InChIKey: LJPOPDHGMZMVTD-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 295.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1676.38
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone?

The IUPAC name of 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone (CID 159369961) is 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone.

What is the SMILES notation for 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone?

The canonical SMILES for 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone is CC(=O)N1CCNC(C)C1.CCC(CC)N1CCN(C(=O)C(C)(C)C)CC1.CCOC(=O)C(C)N1CCN(C(=O)C(C)(C)C)CC1.CCOC(=O)CC1CCN(C(=O)C(C)(C)C)CC1.CCOC(=O)CCN1CCN(C(=O)C(C)(C)C)CC1.CCOC(=O)N1CCN(C(=O)C(C)(C)C)CC1.CN(C)C(=O)CN1CCN(C(=O)C(C)(C)C)CC1.

What is the InChIKey of 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone?

The InChIKey is LJPOPDHGMZMVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H26N2O3.C14H28N2O.C14H25NO3.C13H25N3O2.C12H22N2O3.C7H14N2O/c1-6-19-12(17)11(2)15-7-9-16(10-8-15)13(18)14(3,4)5;1-5-19-12(17)6-7-15-8-10-16(11-9-15)13(18)14(2,3)4;1-6-12(7-2)15-8-10-16(11-9-15)13(17)14(3,4)5;1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)14(2,3)4;1-13(2,3)12(18)16-8-6-15(7-9-16)10-11(17)14(4)5;1-5-17-11(16)14-8-6-13(7-9-14)10(15)12(2,3)4;1-6-5-9(7(2)10)4-3-8-6/h11H,6-10H2,1-5H3;5-11H2,1-4H3;12H,6-11H2,1-5H3;11H,5-10H2,1-4H3;6-10H2,1-5H3;5-9H2,1-4H3;6,8H,3-5H2,1-2H3.

What are the key properties of 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone?

2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone has a molecular weight of 1676.38 g/mol, XLogP of 8.27, 16 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-(4-pentan-3-ylpiperazin-1-yl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-dimethylacetamide;ethyl 4-(2,2-dimethylpropanoyl)piperazine-1-carboxylate;ethyl 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate;ethyl 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate;1-(3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159369961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).