About [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone (PubChem CID 58968577) has the molecular formula C30H36N2O3
and a molecular weight of 472.63 g/mol. Its IUPAC name is [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone.
Molecular Properties
| Compound Name | [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone |
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| PubChem CID | 58968577 |
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| Molecular Formula | C30H36N2O3 |
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| Molecular Weight | 472.63 g/mol |
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| Exact Mass | 472.27 |
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| IUPAC Name | [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone |
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| SMILES | COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c12 |
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| InChI | InChI=1S/C30H36N2O3/c1-34-28-10-5-9-26-27(30(33)22-7-3-2-4-8-22)19-31(29(26)28)15-6-16-32-23-13-14-24(32)18-25(17-23)35-20-21-11-12-21/h2-5,7-10,19,21,23-25H,6,11-18,20H2,1H3/t23-,24+,25? |
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| InChIKey | VJYYVHQFWOLUJR-XMGLRAKGSA-N |
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| XLogP | 5.69 |
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| TPSA | 43.70 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 472.63 |
| LogP ≤ 5 | 5.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The IUPAC name of [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone (CID 58968577) is [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone is COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3[C@@H]4CC[C@H]3CC(OCC3CC3)C4)c12.
What is the InChIKey of [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The InChIKey is VJYYVHQFWOLUJR-XMGLRAKGSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-34-28-10-5-9-26-27(30(33)22-7-3-2-4-8-22)19-31(29(26)28)15-6-16-32-23-13-14-24(32)18-25(17-23)35-20-21-11-12-21/h2-5,7-10,19,21,23-25H,6,11-18,20H2,1H3/t23-,24+,25?.
What are the key properties of [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
[1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone has a molecular weight of 472.63 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone is sourced from PubChem (CID 58968577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).