N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide

C8H11N3O4 — CID 66084386

IUPACN-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C8H11N3O4/c1-5(12)9-2-8(15)11-3-6(13)10-7(14)4-11/h2-4H2,1H3,(H,9,12)(H,10,13,14)
InChIKeyXHLVUKIAHGDUDX-UHFFFAOYSA-N
MW213.19 g/mol
LogP-2.39
Rot. Bonds2

About N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide

N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 66084386) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID66084386
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC NameN-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C8H11N3O4/c1-5(12)9-2-8(15)11-3-6(13)10-7(14)4-11/h2-4H2,1H3,(H,9,12)(H,10,13,14)
InChIKeyXHLVUKIAHGDUDX-UHFFFAOYSA-N
XLogP-2.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-2.39
H-Bond Donors ≤ 52
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 N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide (CID 66084386) is N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is XHLVUKIAHGDUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-5(12)9-2-8(15)11-3-6(13)10-7(14)4-11/h2-4H2,1H3,(H,9,12)(H,10,13,14).
What are the key properties of N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide?
N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 213.19 g/mol, XLogP of -2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 66084386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).