About N-(4-oxopiperidin-1-yl)benzamide
N-(4-oxopiperidin-1-yl)benzamide (PubChem CID 57261442) has the molecular formula C12H14N2O2
and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(4-oxopiperidin-1-yl)benzamide.
Molecular Properties
| Compound Name | N-(4-oxopiperidin-1-yl)benzamide |
| PubChem CID | 57261442 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.26 g/mol |
| Exact Mass | 218.11 |
| IUPAC Name | N-(4-oxopiperidin-1-yl)benzamide |
| SMILES | O=C1CCN(NC(=O)c2ccccc2)CC1 |
| InChI | InChI=1S/C12H14N2O2/c15-11-6-8-14(9-7-11)13-12(16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,16) |
| InChIKey | CBADILHJBJFIIJ-UHFFFAOYSA-N |
| XLogP | 1.00 |
| TPSA | 49.41 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 218.26 |
| LogP ≤ 5 | 1.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-(4-oxopiperidin-1-yl)benzamide (CID 57261442) is N-(4-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-(4-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-(4-oxopiperidin-1-yl)benzamide is O=C1CCN(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-(4-oxopiperidin-1-yl)benzamide?
The InChIKey is CBADILHJBJFIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11-6-8-14(9-7-11)13-12(16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,16).
What are the key properties of N-(4-oxopiperidin-1-yl)benzamide?
N-(4-oxopiperidin-1-yl)benzamide has a molecular weight of 218.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 57261442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).