4-propanimidoylpiperazine-2,6-dione

C7H11N3O2 — CID 66061276

IUPAC4-propanimidoylpiperazine-2,6-dione
SMILES[H]/N=C(\CC)N1CC(=O)NC(=O)C1
InChIInChI=1S/C7H11N3O2/c1-2-5(8)10-3-6(11)9-7(12)4-10/h8H,2-4H2,1H3,(H,9,11,12)/b8-5+
InChIKeyYSIIMJLUVBZSIJ-VMPITWQZSA-N
MW169.18 g/mol
LogP-0.67
Rot. Bonds1

About 4-propanimidoylpiperazine-2,6-dione

4-propanimidoylpiperazine-2,6-dione (PubChem CID 66061276) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-propanimidoylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-propanimidoylpiperazine-2,6-dione
PubChem CID66061276
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-propanimidoylpiperazine-2,6-dione
SMILES[H]/N=C(\CC)N1CC(=O)NC(=O)C1
InChIInChI=1S/C7H11N3O2/c1-2-5(8)10-3-6(11)9-7(12)4-10/h8H,2-4H2,1H3,(H,9,11,12)/b8-5+
InChIKeyYSIIMJLUVBZSIJ-VMPITWQZSA-N
XLogP-0.67
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(2-sulfanylethanimidoyl)piperazine-2,6-dione;hydrochloride
CID 21293007
1-(1,3-dihydroisoindol-2-yl)propan-1-imine
CID 63176539
4-(2-ethylbutanoyl)piperazine-2,6-dione
CID 66084705
N-ethyl-3,5-dioxopiperazine-1-carbothioamide
CID 116509206
4-[(2S)-2-aminopentanoyl]piperazine-2,6-dione
CID 107569988
4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione
CID 66085509
4-propylpiperazine-2,6-dione
CID 63787682
N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 66084386
2-[(3,5-dioxopiperazine-1-carbonyl)-methylamino]acetic acid
CID 66062995
4-(3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66083698
4-(2-aminopropanoyl)piperazine-2,6-dione
CID 66084211
3-[(3,5-dioxopiperazine-1-carbonyl)-ethylamino]butanoic acid
CID 66062224

Frequently Asked Questions

What is the IUPAC name of 4-propanimidoylpiperazine-2,6-dione?
The IUPAC name of 4-propanimidoylpiperazine-2,6-dione (CID 66061276) is 4-propanimidoylpiperazine-2,6-dione.
What is the SMILES notation for 4-propanimidoylpiperazine-2,6-dione?
The canonical SMILES for 4-propanimidoylpiperazine-2,6-dione is [H]/N=C(\CC)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-propanimidoylpiperazine-2,6-dione?
The InChIKey is YSIIMJLUVBZSIJ-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-5(8)10-3-6(11)9-7(12)4-10/h8H,2-4H2,1H3,(H,9,11,12)/b8-5+.
What are the key properties of 4-propanimidoylpiperazine-2,6-dione?
4-propanimidoylpiperazine-2,6-dione has a molecular weight of 169.18 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanimidoylpiperazine-2,6-dione is sourced from PubChem (CID 66061276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).