3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione

C20H20ClN3O2 — CID 2839911

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H20ClN3O2/c21-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)17-4-2-1-3-5-17/h1-9,18H,10-14H2
InChIKeyDCTWXIXPSIUSDJ-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.79
Rot. Bonds3

About 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione

3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 2839911) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
PubChem CID2839911
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H20ClN3O2/c21-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)17-4-2-1-3-5-17/h1-9,18H,10-14H2
InChIKeyDCTWXIXPSIUSDJ-UHFFFAOYSA-N
XLogP2.79
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Phenyl-2-piperidinosuccinimide
CID 250855
1-(3-Chlorophenyl)-3-(thiomorpholin-4-yl)pyrrolidine-2,5-dione
CID 2855815
1-(3-Chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
CID 2840997
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2833555
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
CID 3711227
1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 3797035
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
1-(4-Chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6462900
1-(4-Chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 6463672
1-(4-Chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6497603
N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 687128

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione (CID 2839911) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is DCTWXIXPSIUSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-15-6-8-16(9-7-15)22-10-12-23(13-11-22)18-14-19(25)24(20(18)26)17-4-2-1-3-5-17/h1-9,18H,10-14H2.
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione?
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 369.85 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2839911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).