About 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 45183038) has the molecular formula C28H33ClN2O4
and a molecular weight of 497.04 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
Molecular Properties
| Compound Name | 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione |
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| PubChem CID | 45183038 |
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| Molecular Formula | C28H33ClN2O4 |
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| Molecular Weight | 497.04 g/mol |
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| Exact Mass | 496.21 |
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| IUPAC Name | 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione |
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| SMILES | COCCCN1C(=O)CC(CC(=O)N2CCCC(c3ccccc3C)C2)(c2ccccc2Cl)C1=O |
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| InChI | InChI=1S/C28H33ClN2O4/c1-20-9-3-4-11-22(20)21-10-7-14-30(19-21)25(32)17-28(23-12-5-6-13-24(23)29)18-26(33)31(27(28)34)15-8-16-35-2/h3-6,9,11-13,21H,7-8,10,14-19H2,1-2H3 |
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| InChIKey | SDZLBEPKEDPZHL-UHFFFAOYSA-N |
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| XLogP | 4.48 |
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| TPSA | 66.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 497.04 |
| LogP ≤ 5 | 4.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 45183038) is 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is COCCCN1C(=O)CC(CC(=O)N2CCCC(c3ccccc3C)C2)(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is SDZLBEPKEDPZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O4/c1-20-9-3-4-11-22(20)21-10-7-14-30(19-21)25(32)17-28(23-12-5-6-13-24(23)29)18-26(33)31(27(28)34)15-8-16-35-2/h3-6,9,11-13,21H,7-8,10,14-19H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 497.04 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(3-methoxypropyl)-3-[2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45183038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).