4-(2-amino-5-chlorophenyl)piperazine-2,6-dione

C10H10ClN3O2 — CID 115469095

IUPAC4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
SMILESNc1ccc(Cl)cc1N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H10ClN3O2/c11-6-1-2-7(12)8(3-6)14-4-9(15)13-10(16)5-14/h1-3H,4-5,12H2,(H,13,15,16)
InChIKeySHJKGWFTIUGENN-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.38
Rot. Bonds1

About 4-(2-amino-5-chlorophenyl)piperazine-2,6-dione

4-(2-amino-5-chlorophenyl)piperazine-2,6-dione (PubChem CID 115469095) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-(2-amino-5-chlorophenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
PubChem CID115469095
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
SMILESNc1ccc(Cl)cc1N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H10ClN3O2/c11-6-1-2-7(12)8(3-6)14-4-9(15)13-10(16)5-14/h1-3H,4-5,12H2,(H,13,15,16)
InChIKeySHJKGWFTIUGENN-UHFFFAOYSA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-chlorophenyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-amino-5-chlorophenyl)piperazine-2,6-dione (CID 115469095) is 4-(2-amino-5-chlorophenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-5-chlorophenyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-5-chlorophenyl)piperazine-2,6-dione is Nc1ccc(Cl)cc1N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2-amino-5-chlorophenyl)piperazine-2,6-dione?
The InChIKey is SHJKGWFTIUGENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-6-1-2-7(12)8(3-6)14-4-9(15)13-10(16)5-14/h1-3H,4-5,12H2,(H,13,15,16).
What are the key properties of 4-(2-amino-5-chlorophenyl)piperazine-2,6-dione?
4-(2-amino-5-chlorophenyl)piperazine-2,6-dione has a molecular weight of 239.66 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-chlorophenyl)piperazine-2,6-dione is sourced from PubChem (CID 115469095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).