4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione

C11H16N4O4 — CID 30623

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IUPAC4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
SMILESCC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)
InChIKeyBMKDZUISNHGIBY-UHFFFAOYSA-N
MW268.27 g/mol
LogP-2.71
Rot. Bonds3

About 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione

4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione (PubChem CID 30623) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
PubChem CID30623
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
SMILESCC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)
InChIKeyBMKDZUISNHGIBY-UHFFFAOYSA-N
XLogP-2.71
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-2.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione with MolForge

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Related Compounds

Dexrazoxane
CID 71384
Cardioxane
CID 6918223
Icrf 193
CID 119081
Razoxane, (R)-
CID 298076
4,4'-(1,2-Ethanediyl)bis(2,6-piperazinedione)
CID 72760
4,4'-(1,2-Dimethyl-1,2-ethanediyl)bis-2,6-piperazinedione
CID 115150
4-[(2R,3S)-3-(3-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166630060
4,4'-(1,2-Cyclopropanediyl)bis(2,6-piperazinedione)
CID 128318
4-[3-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 132047299
4-[1-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166631267
1-[2-(2,6-Dioxopiperazin-1-yl)propyl]piperazine-2,6-dione
CID 22368087
4-[3-(3,5-Dioxopiperazin-1-yl)pentan-2-yl]piperazine-2,6-dione
CID 311908

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione (CID 30623) is 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione is CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione?
The InChIKey is BMKDZUISNHGIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19).
What are the key properties of 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione?
4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione has a molecular weight of 268.27 g/mol, XLogP of -2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione is sourced from PubChem (CID 30623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).