4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione

C10H16N4O3 — CID 66084891

IUPAC4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
SMILESO=C1CN(CC(=O)N2CCNCC2)CC(=O)N1
InChIInChI=1S/C10H16N4O3/c15-8-5-13(6-9(16)12-8)7-10(17)14-3-1-11-2-4-14/h11H,1-7H2,(H,12,15,16)
InChIKeyMNWFSGWWIWFUGX-UHFFFAOYSA-N
MW240.26 g/mol
LogP-2.62
Rot. Bonds2

About 4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione

4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione (PubChem CID 66084891) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
PubChem CID66084891
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
SMILESO=C1CN(CC(=O)N2CCNCC2)CC(=O)N1
InChIInChI=1S/C10H16N4O3/c15-8-5-13(6-9(16)12-8)7-10(17)14-3-1-11-2-4-14/h11H,1-7H2,(H,12,15,16)
InChIKeyMNWFSGWWIWFUGX-UHFFFAOYSA-N
XLogP-2.62
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-2.62
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

1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 66084548
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
3,3-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66076498
4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 62837528
1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
CID 61349224
1-(8-azaspiro[4.5]decan-8-yl)-2-piperazin-1-ylethanone
CID 63163322
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-piperazin-1-ylethanone
CID 81491611
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
CID 61226175
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-piperazin-1-ylethanone
CID 64576669
1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone
CID 63160661

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione (CID 66084891) is 4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione is O=C1CN(CC(=O)N2CCNCC2)CC(=O)N1.
What is the InChIKey of 4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione?
The InChIKey is MNWFSGWWIWFUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-8-5-13(6-9(16)12-8)7-10(17)14-3-1-11-2-4-14/h11H,1-7H2,(H,12,15,16).
What are the key properties of 4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione?
4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione has a molecular weight of 240.26 g/mol, XLogP of -2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione is sourced from PubChem (CID 66084891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).