4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione

C12H22N4O2 — CID 141382621

IUPAC4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione
SMILESCC(C(C)N1CC(=O)NC(=O)C1)N1CCNCC1
InChIInChI=1S/C12H22N4O2/c1-9(15-5-3-13-4-6-15)10(2)16-7-11(17)14-12(18)8-16/h9-10,13H,3-8H2,1-2H3,(H,14,17,18)
InChIKeyZQNAVJGEKJZTTM-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.37
Rot. Bonds3

About 4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione

4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione (PubChem CID 141382621) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione
PubChem CID141382621
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione
SMILESCC(C(C)N1CC(=O)NC(=O)C1)N1CCNCC1
InChIInChI=1S/C12H22N4O2/c1-9(15-5-3-13-4-6-15)10(2)16-7-11(17)14-12(18)8-16/h9-10,13H,3-8H2,1-2H3,(H,14,17,18)
InChIKeyZQNAVJGEKJZTTM-UHFFFAOYSA-N
XLogP-1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dexrazoxane
CID 71384
Razoxane
CID 30623
Cardioxane
CID 6918223
Icrf 193
CID 119081
Razoxane, (R)-
CID 298076
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-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione?
The IUPAC name of 4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione (CID 141382621) is 4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione is CC(C(C)N1CC(=O)NC(=O)C1)N1CCNCC1.
What is the InChIKey of 4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione?
The InChIKey is ZQNAVJGEKJZTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(15-5-3-13-4-6-15)10(2)16-7-11(17)14-12(18)8-16/h9-10,13H,3-8H2,1-2H3,(H,14,17,18).
What are the key properties of 4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione?
4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione has a molecular weight of 254.33 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylbutan-2-yl)piperazine-2,6-dione is sourced from PubChem (CID 141382621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).