3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione

C15H24N4O2 — CID 21423021

IUPAC3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
SMILESCCN1CCN(c2c(N3CCN(C)CC3)c(=O)c2=O)CC1
InChIInChI=1S/C15H24N4O2/c1-3-17-6-10-19(11-7-17)13-12(14(20)15(13)21)18-8-4-16(2)5-9-18/h3-11H2,1-2H3
InChIKeyRQPXPERQFPSVPF-UHFFFAOYSA-N
MW292.38 g/mol
LogP-0.82
Rot. Bonds3

About 3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione

3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione (PubChem CID 21423021) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
PubChem CID21423021
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
SMILESCCN1CCN(c2c(N3CCN(C)CC3)c(=O)c2=O)CC1
InChIInChI=1S/C15H24N4O2/c1-3-17-6-10-19(11-7-17)13-12(14(20)15(13)21)18-8-4-16(2)5-9-18/h3-11H2,1-2H3
InChIKeyRQPXPERQFPSVPF-UHFFFAOYSA-N
XLogP-0.82
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione (CID 21423021) is 3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione is CCN1CCN(c2c(N3CCN(C)CC3)c(=O)c2=O)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione?
The InChIKey is RQPXPERQFPSVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-17-6-10-19(11-7-17)13-12(14(20)15(13)21)18-8-4-16(2)5-9-18/h3-11H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione?
3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione has a molecular weight of 292.38 g/mol, XLogP of -0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 21423021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).