About 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide
4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide (PubChem CID 112531105) has the molecular formula C12H20N2O2
and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide.
Molecular Properties
| Compound Name | 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide |
| PubChem CID | 112531105 |
| Molecular Formula | C12H20N2O2 |
| Molecular Weight | 224.30 g/mol |
| Exact Mass | 224.15 |
| IUPAC Name | 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide |
| SMILES | O=C1CCC(C(=O)NC2CCNCC2)CC1 |
| InChI | InChI=1S/C12H20N2O2/c15-11-3-1-9(2-4-11)12(16)14-10-5-7-13-8-6-10/h9-10,13H,1-8H2,(H,14,16) |
| InChIKey | FVNWLBPTJHPVEV-UHFFFAOYSA-N |
| XLogP | 0.61 |
| TPSA | 58.20 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 224.30 |
| LogP ≤ 5 | 0.61 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide (CID 112531105) is 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide is O=C1CCC(C(=O)NC2CCNCC2)CC1.
What is the InChIKey of 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide?
The InChIKey is FVNWLBPTJHPVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-3-1-9(2-4-11)12(16)14-10-5-7-13-8-6-10/h9-10,13H,1-8H2,(H,14,16).
What are the key properties of 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide?
4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-piperidin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 112531105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).