4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione

C12H15N3O3 — CID 117375786

IUPAC4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione
SMILESNOCCc1ccc(N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C12H15N3O3/c13-18-6-5-9-1-3-10(4-2-9)15-7-11(16)14-12(17)8-15/h1-4H,5-8,13H2,(H,14,16,17)
InChIKeySXPLIBOCRNEGRN-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.42
Rot. Bonds4

About 4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione

4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione (PubChem CID 117375786) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione
PubChem CID117375786
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione
SMILESNOCCc1ccc(N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C12H15N3O3/c13-18-6-5-9-1-3-10(4-2-9)15-7-11(16)14-12(17)8-15/h1-4H,5-8,13H2,(H,14,16,17)
InChIKeySXPLIBOCRNEGRN-UHFFFAOYSA-N
XLogP-0.42
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3-hydroxypropyl)phenyl]piperazine-2,6-dione
CID 117373491
4-(4-ethoxyphenyl)piperazine-2,6-dione
CID 63789608
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
1-[4-(2-aminooxyethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117412529
ethane;4-phenylpiperazine-2,6-dione
CID 142623304
4-[4-(pyrrolidin-2-ylmethyl)phenyl]piperazine-2,6-dione
CID 117436119
4-[4-(2-aminoethyl)phenyl]piperazin-2-one
CID 83822156
2-[4-(3,5-dioxopiperazin-1-yl)phenyl]-2-oxoacetic acid
CID 117409635
1-(4-propylphenyl)imidazolidine-2,4-dione
CID 79777361
1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one
CID 117315868
4-[5-(aminomethyl)-2-pyridinyl]piperazine-2,6-dione
CID 66085232
methyl 3-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]propanoate
CID 70077589

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione?
The IUPAC name of 4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione (CID 117375786) is 4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione?
The canonical SMILES for 4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione is NOCCc1ccc(N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of 4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione?
The InChIKey is SXPLIBOCRNEGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-18-6-5-9-1-3-10(4-2-9)15-7-11(16)14-12(17)8-15/h1-4H,5-8,13H2,(H,14,16,17).
What are the key properties of 4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione?
4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminooxyethyl)phenyl]piperazine-2,6-dione is sourced from PubChem (CID 117375786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).