HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 77721663Generated: October 28, 2026
tert-butyl 2-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]pyrrolidine-1-carboxylate
https://huagongshe.com/en/chemical/77721663
Identifiers & Physical Properties
| Molecular formula | C29H39N5O2 |
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| Average molar mass | 489.7 g/mol |
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| Monoisotopic mass | 489.3103755 g/mol |
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| SMILES | CC1CCc2ncnc(N3CC4(CCNCC4)c4c(C5CCCN5C(=O)OC(C)(C)C)cccc43)c21 |
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| InChIKey | LUBNNOHLQGQCNE-UHFFFAOYSA-N |
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| PubChem CID | 77721663 |
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Chemical & Physical Properties
| XLogP | 4.3 |
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| Topological polar surface area | 70.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 808 |
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![tert-butyl 2-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]pyrrolidine-1-carboxylate molecular structure](/img/chemical/77721663.png)