1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione

C10H16N4O3 — CID 43145085

IUPAC1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESO=C1CN(C(=O)C(=O)N2CCNCC2)CCN1
InChIInChI=1S/C10H16N4O3/c15-8-7-14(6-3-12-8)10(17)9(16)13-4-1-11-2-5-13/h11H,1-7H2,(H,12,15)
InChIKeyMTPXGCBZPVKNNI-UHFFFAOYSA-N
MW240.26 g/mol
LogP-2.62
Rot. Bonds

About 1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione

1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione (PubChem CID 43145085) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
PubChem CID43145085
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESO=C1CN(C(=O)C(=O)N2CCNCC2)CCN1
InChIInChI=1S/C10H16N4O3/c15-8-7-14(6-3-12-8)10(17)9(16)13-4-1-11-2-5-13/h11H,1-7H2,(H,12,15)
InChIKeyMTPXGCBZPVKNNI-UHFFFAOYSA-N
XLogP-2.62
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
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 ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The IUPAC name of 1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione (CID 43145085) is 1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione is O=C1CN(C(=O)C(=O)N2CCNCC2)CCN1.
What is the InChIKey of 1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The InChIKey is MTPXGCBZPVKNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-8-7-14(6-3-12-8)10(17)9(16)13-4-1-11-2-5-13/h11H,1-7H2,(H,12,15).
What are the key properties of 1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione has a molecular weight of 240.26 g/mol, XLogP of -2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione is sourced from PubChem (CID 43145085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).