About 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 29083930) has the molecular formula C11H20N2O
and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone.
Molecular Properties
| Compound Name | 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone |
| PubChem CID | 29083930 |
| Molecular Formula | C11H20N2O |
| Molecular Weight | 196.29 g/mol |
| Exact Mass | 196.16 |
| IUPAC Name | 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone |
| SMILES | O=C(C[C@@H]1CCCCN1)N1CCCC1 |
| InChI | InChI=1S/C11H20N2O/c14-11(13-7-3-4-8-13)9-10-5-1-2-6-12-10/h10,12H,1-9H2/t10-/m0/s1 |
| InChIKey | GOGYNZMOTKUCDG-JTQLQIEISA-N |
| XLogP | 1.14 |
| TPSA | 32.34 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 196.29 |
| LogP ≤ 5 | 1.14 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone (CID 29083930) is 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone is O=C(C[C@@H]1CCCCN1)N1CCCC1.
What is the InChIKey of 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is GOGYNZMOTKUCDG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O/c14-11(13-7-3-4-8-13)9-10-5-1-2-6-12-10/h10,12H,1-9H2/t10-/m0/s1.
What are the key properties of 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone?
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 196.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 29083930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).