C133H271N35O16 — CID 157300802
2-[4-(4-methoxybutyl)piperazin-1-yl]-N-methylacetamide;2-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]-N-methylacetamide;2-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-N-methylacetamide;2-[4-(5-methoxypentyl)piperazin-1-yl]-N-methylacetamide;2-[4-(3-methoxypropyl)piperazin-1-yl]-N-methylacetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetamide;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 157300802) has the molecular formula C133H271N35O16 and a molecular weight of 2616.86 g/mol. Its IUPAC name is 2-[4-(4-methoxybutyl)piperazin-1-yl]-N-methylacetamide;2-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]-N-methylacetamide;2-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-N-methylacetamide;2-[4-(5-methoxypentyl)piperazin-1-yl]-N-methylacetamide;2-[4-(3-methoxypropyl)piperazin-1-yl]-N-methylacetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetamide;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide.
| Compound Name | 2-[4-(4-methoxybutyl)piperazin-1-yl]-N-methylacetamide;2-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]-N-methylacetamide;2-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-N-methylacetamide;2-[4-(5-methoxypentyl)piperazin-1-yl]-N-methylacetamide;2-[4-(3-methoxypropyl)piperazin-1-yl]-N-methylacetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetamide;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide |
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| PubChem CID | 157300802 |
| Molecular Formula | C133H271N35O16 |
| Molecular Weight | 2616.86 g/mol |
| Exact Mass | 2615.15 |
| IUPAC Name | 2-[4-(4-methoxybutyl)piperazin-1-yl]-N-methylacetamide;2-[4-[2-(2-methoxyethoxy)ethyl]piperazin-1-yl]-N-methylacetamide;2-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-N-methylacetamide;2-[4-(5-methoxypentyl)piperazin-1-yl]-N-methylacetamide;2-[4-(3-methoxypropyl)piperazin-1-yl]-N-methylacetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetamide;N-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]prop-1-en-2-amine;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide |
| SMILES | C=C(CN1CCC(CN2CCN(C)CC2)CC1)NC.CNC(=O)CC1CCN(CCN2CCN(C)CC2)CC1.CNC(=O)CC1CCN(CCOCCOC)CC1.CNC(=O)CN1CCC(CCN2CCN(C)CC2)CC1.CNC(=O)CN1CCC(N2CCN(C)CC2)CC1.CNC(=O)CN1CCN(CCCCCOC)CC1.CNC(=O)CN1CCN(CCCCOC)CC1.CNC(=O)CN1CCN(CCCOC)CC1.CNC(=O)CN1CCN(CCN2CCN(C)CC2)CC1.CNC(=O)CN1CCN(CCOCCOC)CC1 |
| InChI | InChI=1S/2C15H30N4O.C15H30N4.C14H29N5O.C13H26N4O.C13H27N3O2.C13H26N2O3.C12H25N3O3.C12H25N3O2.C11H23N3O2/c1-16-15(20)13-19-7-4-14(5-8-19)3-6-18-11-9-17(2)10-12-18;1-16-15(20)13-14-3-5-18(6-4-14)11-12-19-9-7-17(2)8-10-19;1-14(16-2)12-18-6-4-15(5-7-18)13-19-10-8-17(3)9-11-19;1-15-14(20)13-19-11-9-18(10-12-19)8-7-17-5-3-16(2)4-6-17;1-14-13(18)11-16-5-3-12(4-6-16)17-9-7-15(2)8-10-17;1-14-13(17)12-16-9-7-15(8-10-16)6-4-3-5-11-18-2;1-14-13(16)11-12-3-5-15(6-4-12)7-8-18-10-9-17-2;1-13-12(16)11-15-5-3-14(4-6-15)7-8-18-10-9-17-2;1-13-12(16)11-15-8-6-14(7-9-15)5-3-4-10-17-2;1-12-11(15)10-14-7-5-13(6-8-14)4-3-9-16-2/h2*14H,3-13H2,1-2H3,(H,16,20);15-16H,1,4-13H2,2-3H3;3-13H2,1-2H3,(H,15,20);12H,3-11H2,1-2H3,(H,14,18);3-12H2,1-2H3,(H,14,17);12H,3-11H2,1-2H3,(H,14,16);3-11H2,1-2H3,(H,13,16);3-11H2,1-2H3,(H,13,16);3-10H2,1-2H3,(H,12,15) |
| InChIKey | BBWKNHRCEKKEKP-UHFFFAOYSA-N |
| XLogP | -2.28 |
| TPSA | 419.54 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 184 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2616.86 |
| LogP ≤ 5 | -2.28 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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