About N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 20735209) has the molecular formula C27H36N4O6S
and a molecular weight of 544.67 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide.
Molecular Properties
| Compound Name | N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide |
|---|
| PubChem CID | 20735209 |
|---|
| Molecular Formula | C27H36N4O6S |
|---|
| Molecular Weight | 544.67 g/mol |
|---|
| Exact Mass | 544.24 |
|---|
| IUPAC Name | N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide |
|---|
| SMILES | COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4ccccc4)CC3)cc2)CC1 |
|---|
| InChI | InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33) |
|---|
| InChIKey | WVNVANHURONWTG-UHFFFAOYSA-N |
|---|
| XLogP | 2.30 |
|---|
| TPSA | 128.28 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 544.67 |
| LogP ≤ 5 | 2.30 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide (CID 20735209) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(N3CCC(C(=O)Nc4ccccc4)CC3)cc2)CC1.
What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is WVNVANHURONWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O6S/c1-37-20-19-30-17-13-27(14-18-30,26(33)29-34)38(35,36)24-9-7-23(8-10-24)31-15-11-21(12-16-31)25(32)28-22-5-3-2-4-6-22/h2-10,21,34H,11-20H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 544.67 g/mol, XLogP of 2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(phenylcarbamoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20735209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).