1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione

C21H26ClN3O3 — CID 2961820

IUPAC1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CCCN1CCC1CCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C21H26ClN3O3/c22-16-3-5-17(6-4-16)25-20(27)14-18(21(25)28)23-11-7-15(8-12-23)9-13-24-10-1-2-19(24)26/h3-6,15,18H,1-2,7-14H2
InChIKeyHEAYDAUBAJWWFS-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione

1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2961820) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID2961820
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CCCN1CCC1CCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C21H26ClN3O3/c22-16-3-5-17(6-4-16)25-20(27)14-18(21(25)28)23-11-7-15(8-12-23)9-13-24-10-1-2-19(24)26/h3-6,15,18H,1-2,7-14H2
InChIKeyHEAYDAUBAJWWFS-UHFFFAOYSA-N
XLogP2.70
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione (CID 2961820) is 1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione is O=C1CCCN1CCC1CCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is HEAYDAUBAJWWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c22-16-3-5-17(6-4-16)25-20(27)14-18(21(25)28)23-11-7-15(8-12-23)9-13-24-10-1-2-19(24)26/h3-6,15,18H,1-2,7-14H2.
What are the key properties of 1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 403.91 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2961820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).