About N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide (PubChem CID 156860499) has the molecular formula C26H39N5O4
and a molecular weight of 485.63 g/mol. Its IUPAC name is N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide.
Molecular Properties
| Compound Name | N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide |
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| PubChem CID | 156860499 |
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| Molecular Formula | C26H39N5O4 |
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| Molecular Weight | 485.63 g/mol |
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| Exact Mass | 485.30 |
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| IUPAC Name | N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide |
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| SMILES | CNC(=O)CCC(C=O)n1c(=O)n(C)c2cc(CN3CCC(OC4CCN(C)CC4)CC3)ccc21 |
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| InChI | InChI=1S/C26H39N5O4/c1-27-25(33)7-5-20(18-32)31-23-6-4-19(16-24(23)29(3)26(31)34)17-30-14-10-22(11-15-30)35-21-8-12-28(2)13-9-21/h4,6,16,18,20-22H,5,7-15,17H2,1-3H3,(H,27,33) |
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| InChIKey | DIWWQNIPNXGWQV-UHFFFAOYSA-N |
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| XLogP | 1.68 |
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| TPSA | 88.81 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 485.63 |
| LogP ≤ 5 | 1.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide (CID 156860499) is N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide is CNC(=O)CCC(C=O)n1c(=O)n(C)c2cc(CN3CCC(OC4CCN(C)CC4)CC3)ccc21.
What is the InChIKey of N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
The InChIKey is DIWWQNIPNXGWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O4/c1-27-25(33)7-5-20(18-32)31-23-6-4-19(16-24(23)29(3)26(31)34)17-30-14-10-22(11-15-30)35-21-8-12-28(2)13-9-21/h4,6,16,18,20-22H,5,7-15,17H2,1-3H3,(H,27,33).
What are the key properties of N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide?
N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide has a molecular weight of 485.63 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide is sourced from PubChem (CID 156860499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).