1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione

C21H22FN3O2 — CID 2984892

IUPAC1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C21H22FN3O2/c22-17-6-2-3-7-19(17)25-20(26)14-18(21(25)27)23-15-8-10-16(11-9-15)24-12-4-1-5-13-24/h2-3,6-11,18,23H,1,4-5,12-14H2
InChIKeyHJGUJZPZWHMAPA-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.56
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione

1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione (PubChem CID 2984892) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione
PubChem CID2984892
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C21H22FN3O2/c22-17-6-2-3-7-19(17)25-20(26)14-18(21(25)27)23-15-8-10-16(11-9-15)24-12-4-1-5-13-24/h2-3,6-11,18,23H,1,4-5,12-14H2
InChIKeyHJGUJZPZWHMAPA-UHFFFAOYSA-N
XLogP3.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione (CID 2984892) is 1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is HJGUJZPZWHMAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-17-6-2-3-7-19(17)25-20(26)14-18(21(25)27)23-15-8-10-16(11-9-15)24-12-4-1-5-13-24/h2-3,6-11,18,23H,1,4-5,12-14H2.
What are the key properties of 1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione?
1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 367.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-piperidin-1-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2984892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).