About 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide
6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide (PubChem CID 134133483) has the molecular formula C37H50N4O4
and a molecular weight of 614.83 g/mol. Its IUPAC name is 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide.
Molecular Properties
| Compound Name | 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide |
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| PubChem CID | 134133483 |
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| Molecular Formula | C37H50N4O4 |
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| Molecular Weight | 614.83 g/mol |
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| Exact Mass | 614.38 |
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| IUPAC Name | 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide |
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| SMILES | COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccc(OCCCN4CCOCC4)cc3)CC2)cc1 |
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| InChI | InChI=1S/C37H50N4O4/c1-43-33-17-13-32(14-18-33)35-8-4-5-9-36(35)41-23-21-39(22-24-41)19-6-2-3-10-37(42)38-30-31-11-15-34(16-12-31)45-27-7-20-40-25-28-44-29-26-40/h4-5,8-9,11-18H,2-3,6-7,10,19-30H2,1H3,(H,38,42) |
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| InChIKey | YFWYOPIREDLCQN-UHFFFAOYSA-N |
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| XLogP | 5.46 |
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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 | 16 |
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| Heavy Atoms | 45 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 614.83 |
| LogP ≤ 5 | 5.46 |
| 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-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide?
The IUPAC name of 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide (CID 134133483) is 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide.
What is the SMILES notation for 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide?
The canonical SMILES for 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide is COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccc(OCCCN4CCOCC4)cc3)CC2)cc1.
What is the InChIKey of 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide?
The InChIKey is YFWYOPIREDLCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50N4O4/c1-43-33-17-13-32(14-18-33)35-8-4-5-9-36(35)41-23-21-39(22-24-41)19-6-2-3-10-37(42)38-30-31-11-15-34(16-12-31)45-27-7-20-40-25-28-44-29-26-40/h4-5,8-9,11-18H,2-3,6-7,10,19-30H2,1H3,(H,38,42).
What are the key properties of 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide?
6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide has a molecular weight of 614.83 g/mol, XLogP of 5.46, 16 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-(3-morpholin-4-ylpropoxy)phenyl]methyl]hexanamide is sourced from PubChem (CID 134133483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).