6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione

C10H14N4O2 — CID 79501906

IUPAC6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
SMILESO=C1N=C(N2CCNCC2)NC(=O)C12CC2
InChIInChI=1S/C10H14N4O2/c15-7-10(1-2-10)8(16)13-9(12-7)14-5-3-11-4-6-14/h11H,1-6H2,(H,12,13,15,16)
InChIKeyDJWUCPSRPKURDH-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.32
Rot. Bonds

About 6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione

6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione (PubChem CID 79501906) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione.

Molecular Properties

Compound Name6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
PubChem CID79501906
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione
SMILESO=C1N=C(N2CCNCC2)NC(=O)C12CC2
InChIInChI=1S/C10H14N4O2/c15-7-10(1-2-10)8(16)13-9(12-7)14-5-3-11-4-6-14/h11H,1-6H2,(H,12,13,15,16)
InChIKeyDJWUCPSRPKURDH-UHFFFAOYSA-N
XLogP-1.32
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The IUPAC name of 6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione (CID 79501906) is 6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione.
What is the SMILES notation for 6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The canonical SMILES for 6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione is O=C1N=C(N2CCNCC2)NC(=O)C12CC2.
What is the InChIKey of 6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
The InChIKey is DJWUCPSRPKURDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-7-10(1-2-10)8(16)13-9(12-7)14-5-3-11-4-6-14/h11H,1-6H2,(H,12,13,15,16).
What are the key properties of 6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione?
6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione has a molecular weight of 222.25 g/mol, XLogP of -1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-5,7-diazaspiro[2.5]oct-6-ene-4,8-dione is sourced from PubChem (CID 79501906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).