About 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione
8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 20556261) has the molecular formula C14H22N2O2
and a molecular weight of 250.34 g/mol. Its IUPAC name is 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione.
Molecular Properties
| Compound Name | 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione |
| PubChem CID | 20556261 |
| Molecular Formula | C14H22N2O2 |
| Molecular Weight | 250.34 g/mol |
| Exact Mass | 250.17 |
| IUPAC Name | 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione |
| SMILES | O=C1CC2(CCCC2)CC(=O)N1C1CCCNC1 |
| InChI | InChI=1S/C14H22N2O2/c17-12-8-14(5-1-2-6-14)9-13(18)16(12)11-4-3-7-15-10-11/h11,15H,1-10H2 |
| InChIKey | UCQMBFDRLLZZOX-UHFFFAOYSA-N |
| XLogP | 1.45 |
| TPSA | 49.41 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 250.34 |
| LogP ≤ 5 | 1.45 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione (CID 20556261) is 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1C1CCCNC1.
What is the InChIKey of 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is UCQMBFDRLLZZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-12-8-14(5-1-2-6-14)9-13(18)16(12)11-4-3-7-15-10-11/h11,15H,1-10H2.
What are the key properties of 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione?
8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 250.34 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperidin-3-yl-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 20556261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).