1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione

C11H15N3O3 — CID 129085707

IUPAC1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
SMILESCN1CCN(C(=O)CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C11H15N3O3/c1-12-4-6-13(7-5-12)11(17)8-14-9(15)2-3-10(14)16/h2-3H,4-8H2,1H3
InChIKeyKSGGGNQBHUBMAF-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.31
Rot. Bonds2

About 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione (PubChem CID 129085707) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
PubChem CID129085707
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
SMILESCN1CCN(C(=O)CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C11H15N3O3/c1-12-4-6-13(7-5-12)11(17)8-14-9(15)2-3-10(14)16/h2-3H,4-8H2,1H3
InChIKeyKSGGGNQBHUBMAF-UHFFFAOYSA-N
XLogP-1.31
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione (CID 129085707) is 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione is CN1CCN(C(=O)CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione?
The InChIKey is KSGGGNQBHUBMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-4-6-13(7-5-12)11(17)8-14-9(15)2-3-10(14)16/h2-3H,4-8H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione?
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione has a molecular weight of 237.26 g/mol, XLogP of -1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrole-2,5-dione is sourced from PubChem (CID 129085707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).