About 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide
4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide (PubChem CID 160967700) has the molecular formula C30H35ClN4O4
and a molecular weight of 551.09 g/mol. Its IUPAC name is 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide.
Molecular Properties
| Compound Name | 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide |
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| PubChem CID | 160967700 |
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| Molecular Formula | C30H35ClN4O4 |
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| Molecular Weight | 551.09 g/mol |
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| Exact Mass | 550.23 |
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| IUPAC Name | 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide |
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| SMILES | NC(=O)c1cc2c(OCc3coc4cc(Cl)ccc34)cccc2n1C1CCN(CCN2CCC(O)CC2)CC1 |
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| InChI | InChI=1S/C30H35ClN4O4/c31-21-4-5-24-20(19-39-29(24)16-21)18-38-28-3-1-2-26-25(28)17-27(30(32)37)35(26)22-6-10-33(11-7-22)14-15-34-12-8-23(36)9-13-34/h1-5,16-17,19,22-23,36H,6-15,18H2,(H2,32,37) |
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| InChIKey | SXVNRBMXLBLLJI-UHFFFAOYSA-N |
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| XLogP | 4.81 |
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| TPSA | 97.10 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 551.09 |
| LogP ≤ 5 | 4.81 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?
The IUPAC name of 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide (CID 160967700) is 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide.
What is the SMILES notation for 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?
The canonical SMILES for 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide is NC(=O)c1cc2c(OCc3coc4cc(Cl)ccc34)cccc2n1C1CCN(CCN2CCC(O)CC2)CC1.
What is the InChIKey of 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?
The InChIKey is SXVNRBMXLBLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O4/c31-21-4-5-24-20(19-39-29(24)16-21)18-38-28-3-1-2-26-25(28)17-27(30(32)37)35(26)22-6-10-33(11-7-22)14-15-34-12-8-23(36)9-13-34/h1-5,16-17,19,22-23,36H,6-15,18H2,(H2,32,37).
What are the key properties of 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide?
4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide has a molecular weight of 551.09 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide is sourced from PubChem (CID 160967700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).