1-(3-aminophenyl)piperazine-2,5-dione

C10H11N3O2 — CID 82512416

IUPAC1-(3-aminophenyl)piperazine-2,5-dione
SMILESNc1cccc(N2CC(=O)NCC2=O)c1
InChIInChI=1S/C10H11N3O2/c11-7-2-1-3-8(4-7)13-6-9(14)12-5-10(13)15/h1-4H,5-6,11H2,(H,12,14)
InChIKeyVOFONQCMAUFUOW-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.27
Rot. Bonds1

About 1-(3-aminophenyl)piperazine-2,5-dione

1-(3-aminophenyl)piperazine-2,5-dione (PubChem CID 82512416) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(3-aminophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-aminophenyl)piperazine-2,5-dione
PubChem CID82512416
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-(3-aminophenyl)piperazine-2,5-dione
SMILESNc1cccc(N2CC(=O)NCC2=O)c1
InChIInChI=1S/C10H11N3O2/c11-7-2-1-3-8(4-7)13-6-9(14)12-5-10(13)15/h1-4H,5-6,11H2,(H,12,14)
InChIKeyVOFONQCMAUFUOW-UHFFFAOYSA-N
XLogP-0.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.27
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-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione
CID 117407702
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195
1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione
CID 117340213
1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione
CID 117375756
1-(3-amino-4-methylphenyl)piperazine-2,5-dione
CID 82512730
1-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
CID 117436048
1-(3-amino-4-fluorophenyl)piperazine-2,5-dione
CID 82512820
1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
CID 82513383
1-naphthalen-1-ylpiperazine-2,5-dione
CID 64955278
1-(3-aminophenyl)-4-ethylpiperazin-2-one
CID 67479009
1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one
CID 117030560
1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-aminophenyl)piperazine-2,5-dione (CID 82512416) is 1-(3-aminophenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-aminophenyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-aminophenyl)piperazine-2,5-dione is Nc1cccc(N2CC(=O)NCC2=O)c1.
What is the InChIKey of 1-(3-aminophenyl)piperazine-2,5-dione?
The InChIKey is VOFONQCMAUFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-7-2-1-3-8(4-7)13-6-9(14)12-5-10(13)15/h1-4H,5-6,11H2,(H,12,14).
What are the key properties of 1-(3-aminophenyl)piperazine-2,5-dione?
1-(3-aminophenyl)piperazine-2,5-dione has a molecular weight of 205.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)piperazine-2,5-dione is sourced from PubChem (CID 82512416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).