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

C10H14N2O2 — CID 22952987

IUPAC3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
SMILESCc1c(N2CCN(C)CC2)c(=O)c1=O
InChIInChI=1S/C10H14N2O2/c1-7-8(10(14)9(7)13)12-5-3-11(2)4-6-12/h3-6H2,1-2H3
InChIKeyNOLZJVSYJUOWHZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.66
Rot. Bonds1

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

3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione (PubChem CID 22952987) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
PubChem CID22952987
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
SMILESCc1c(N2CCN(C)CC2)c(=O)c1=O
InChIInChI=1S/C10H14N2O2/c1-7-8(10(14)9(7)13)12-5-3-11(2)4-6-12/h3-6H2,1-2H3
InChIKeyNOLZJVSYJUOWHZ-UHFFFAOYSA-N
XLogP-0.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylamino)-4-piperidin-1-ylcyclobut-3-ene-1,2-dione
CID 13542480
3-Methyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione
CID 23564124
3-Ethyl-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione
CID 57981977
3-(4-Methylpiperazin-1-yl)-4-[methyl(propan-2-yl)amino]cyclobut-3-ene-1,2-dione
CID 57982006
3-Methyl-4-[2-(methylamino)ethylamino]cyclobut-3-ene-1,2-dione
CID 59698564
3-Amino-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
CID 86180343
3-Methyl-4-pyrrolidin-1-ylcyclobut-3-ene-1,2-dione
CID 89193633
3-[2-Aminoethyl(methyl)amino]-4-methylcyclobut-3-ene-1,2-dione
CID 139376631
3-Methyl-4-[methyl-[2-(methylamino)ethyl]amino]cyclobut-3-ene-1,2-dione
CID 139376633
3-[2-(Diethylamino)ethyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 139376636
3-[3-(Dipropylamino)propyl-methylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 139376637
3-[2-(Dimethylamino)ethylamino]-4-methylcyclobut-3-ene-1,2-dione
CID 139376642

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione (CID 22952987) is 3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione is Cc1c(N2CCN(C)CC2)c(=O)c1=O.
What is the InChIKey of 3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione?
The InChIKey is NOLZJVSYJUOWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-8(10(14)9(7)13)12-5-3-11(2)4-6-12/h3-6H2,1-2H3.
What are the key properties of 3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione?
3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione has a molecular weight of 194.23 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 22952987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).