3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione

C14H15Cl2N3O2 — CID 3155911

IUPAC3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1
InChIInChI=1S/C14H15Cl2N3O2/c15-10-2-1-9(7-11(10)16)18-3-5-19(6-4-18)12-8-13(20)17-14(12)21/h1-2,7,12H,3-6,8H2,(H,17,20,21)
InChIKeyJBYAZBOJMWNBCV-UHFFFAOYSA-N
MW328.20 g/mol
LogP1.53
Rot. Bonds2

About 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione

3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 3155911) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID3155911
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1
InChIInChI=1S/C14H15Cl2N3O2/c15-10-2-1-9(7-11(10)16)18-3-5-19(6-4-18)12-8-13(20)17-14(12)21/h1-2,7,12H,3-6,8H2,(H,17,20,21)
InChIKeyJBYAZBOJMWNBCV-UHFFFAOYSA-N
XLogP1.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
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 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 3155911) is 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1.
What is the InChIKey of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is JBYAZBOJMWNBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c15-10-2-1-9(7-11(10)16)18-3-5-19(6-4-18)12-8-13(20)17-14(12)21/h1-2,7,12H,3-6,8H2,(H,17,20,21).
What are the key properties of 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 328.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3155911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).