3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione

C20H26N4O3 — CID 3811187

IUPAC3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCN1CCN(C2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1
InChIInChI=1S/C20H26N4O3/c1-21-9-11-22(12-10-21)17-13-19(26)24(20(17)27)14-15-4-6-16(7-5-15)23-8-2-3-18(23)25/h4-7,17H,2-3,8-14H2,1H3
InChIKeyNKKCMNHDEXYCMR-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.69
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione

3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 3811187) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID3811187
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCN1CCN(C2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1
InChIInChI=1S/C20H26N4O3/c1-21-9-11-22(12-10-21)17-13-19(26)24(20(17)27)14-15-4-6-16(7-5-15)23-8-2-3-18(23)25/h4-7,17H,2-3,8-14H2,1H3
InChIKeyNKKCMNHDEXYCMR-UHFFFAOYSA-N
XLogP0.69
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione (CID 3811187) is 3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione is CN1CCN(C2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is NKKCMNHDEXYCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-21-9-11-22(12-10-21)17-13-19(26)24(20(17)27)14-15-4-6-16(7-5-15)23-8-2-3-18(23)25/h4-7,17H,2-3,8-14H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 370.45 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3811187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).