1-(4-amino-3-chlorophenyl)piperazine-2,5-dione

C10H10ClN3O2 — CID 82513383

IUPAC1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
SMILESNc1ccc(N2CC(=O)NCC2=O)cc1Cl
InChIInChI=1S/C10H10ClN3O2/c11-7-3-6(1-2-8(7)12)14-5-9(15)13-4-10(14)16/h1-3H,4-5,12H2,(H,13,15)
InChIKeyWPQJLBWSRLFUAZ-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.38
Rot. Bonds1

About 1-(4-amino-3-chlorophenyl)piperazine-2,5-dione

1-(4-amino-3-chlorophenyl)piperazine-2,5-dione (PubChem CID 82513383) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
PubChem CID82513383
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
SMILESNc1ccc(N2CC(=O)NCC2=O)cc1Cl
InChIInChI=1S/C10H10ClN3O2/c11-7-3-6(1-2-8(7)12)14-5-9(15)13-4-10(14)16/h1-3H,4-5,12H2,(H,13,15)
InChIKeyWPQJLBWSRLFUAZ-UHFFFAOYSA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methylphenyl)piperazine-2,5-dione
CID 82512730
3-(4-amino-3-chlorophenyl)imidazolidine-2,4-dione
CID 107841937
1-(3-amino-4-fluorophenyl)piperazine-2,5-dione
CID 82512820
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione
CID 117370686
1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202
1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64955361
1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione
CID 64955695
1-[4-(dimethylamino)phenyl]piperazine-2,5-dione
CID 64955126
1-(1-benzothiophen-5-yl)piperazine-2,5-dione
CID 65451527
1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956068
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)piperazine-2,5-dione?
The IUPAC name of 1-(4-amino-3-chlorophenyl)piperazine-2,5-dione (CID 82513383) is 1-(4-amino-3-chlorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)piperazine-2,5-dione?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)piperazine-2,5-dione is Nc1ccc(N2CC(=O)NCC2=O)cc1Cl.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)piperazine-2,5-dione?
The InChIKey is WPQJLBWSRLFUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-3-6(1-2-8(7)12)14-5-9(15)13-4-10(14)16/h1-3H,4-5,12H2,(H,13,15).
What are the key properties of 1-(4-amino-3-chlorophenyl)piperazine-2,5-dione?
1-(4-amino-3-chlorophenyl)piperazine-2,5-dione has a molecular weight of 239.66 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 82513383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).