About 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 45190963) has the molecular formula C26H29F2N3O4
and a molecular weight of 485.53 g/mol. Its IUPAC name is 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.
Molecular Properties
| Compound Name | 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione |
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| PubChem CID | 45190963 |
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| Molecular Formula | C26H29F2N3O4 |
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| Molecular Weight | 485.53 g/mol |
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| Exact Mass | 485.21 |
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| IUPAC Name | 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione |
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| SMILES | COCCN1C(=O)NC(Cc2ccc(F)cc2)(C2CCN(C(=O)Cc3cccc(F)c3)CC2)C1=O |
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| InChI | InChI=1S/C26H29F2N3O4/c1-35-14-13-31-24(33)26(29-25(31)34,17-18-5-7-21(27)8-6-18)20-9-11-30(12-10-20)23(32)16-19-3-2-4-22(28)15-19/h2-8,15,20H,9-14,16-17H2,1H3,(H,29,34) |
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| InChIKey | BWLRSNDETICBNM-UHFFFAOYSA-N |
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| XLogP | 2.93 |
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| TPSA | 78.95 Ų |
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| H-Bond Donors | 1 |
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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 | 485.53 |
| LogP ≤ 5 | 2.93 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (CID 45190963) is 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1C(=O)NC(Cc2ccc(F)cc2)(C2CCN(C(=O)Cc3cccc(F)c3)CC2)C1=O.
What is the InChIKey of 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is BWLRSNDETICBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O4/c1-35-14-13-31-24(33)26(29-25(31)34,17-18-5-7-21(27)8-6-18)20-9-11-30(12-10-20)23(32)16-19-3-2-4-22(28)15-19/h2-8,15,20H,9-14,16-17H2,1H3,(H,29,34).
What are the key properties of 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 485.53 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45190963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).