About 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide
6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide (PubChem CID 134144864) has the molecular formula C36H48N4O4
and a molecular weight of 600.80 g/mol. Its IUPAC name is 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide.
Molecular Properties
| Compound Name | 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide |
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| PubChem CID | 134144864 |
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| Molecular Formula | C36H48N4O4 |
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| Molecular Weight | 600.80 g/mol |
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| Exact Mass | 600.37 |
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| IUPAC Name | 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide |
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| SMILES | COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccc(OCCN4CCOCC4)cc3)CC2)cc1 |
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| InChI | InChI=1S/C36H48N4O4/c1-42-32-16-12-31(13-17-32)34-7-4-5-8-35(34)40-21-19-38(20-22-40)18-6-2-3-9-36(41)37-29-30-10-14-33(15-11-30)44-28-25-39-23-26-43-27-24-39/h4-5,7-8,10-17H,2-3,6,9,18-29H2,1H3,(H,37,41) |
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| InChIKey | YXYPYIRCJYRBDV-UHFFFAOYSA-N |
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| XLogP | 5.07 |
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| TPSA | 66.51 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 600.80 |
| LogP ≤ 5 | 5.07 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide?
The IUPAC name of 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide (CID 134144864) is 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide.
What is the SMILES notation for 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide?
The canonical SMILES for 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide is COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccc(OCCN4CCOCC4)cc3)CC2)cc1.
What is the InChIKey of 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide?
The InChIKey is YXYPYIRCJYRBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N4O4/c1-42-32-16-12-31(13-17-32)34-7-4-5-8-35(34)40-21-19-38(20-22-40)18-6-2-3-9-36(41)37-29-30-10-14-33(15-11-30)44-28-25-39-23-26-43-27-24-39/h4-5,7-8,10-17H,2-3,6,9,18-29H2,1H3,(H,37,41).
What are the key properties of 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide?
6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide has a molecular weight of 600.80 g/mol, XLogP of 5.07, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]hexanamide is sourced from PubChem (CID 134144864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).