1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione

C12H20N4O2 — CID 83014327

IUPAC1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
SMILESCN1CCN(NC2CC(=O)N(C3CC3)C2=O)CC1
InChIInChI=1S/C12H20N4O2/c1-14-4-6-15(7-5-14)13-10-8-11(17)16(12(10)18)9-2-3-9/h9-10,13H,2-8H2,1H3
InChIKeyLATRLWFJFBXTED-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.97
Rot. Bonds3

About 1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione (PubChem CID 83014327) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
PubChem CID83014327
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
SMILESCN1CCN(NC2CC(=O)N(C3CC3)C2=O)CC1
InChIInChI=1S/C12H20N4O2/c1-14-4-6-15(7-5-14)13-10-8-11(17)16(12(10)18)9-2-3-9/h9-10,13H,2-8H2,1H3
InChIKeyLATRLWFJFBXTED-UHFFFAOYSA-N
XLogP-0.97
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
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 1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione (CID 83014327) is 1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione is CN1CCN(NC2CC(=O)N(C3CC3)C2=O)CC1.
What is the InChIKey of 1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is LATRLWFJFBXTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-14-4-6-15(7-5-14)13-10-8-11(17)16(12(10)18)9-2-3-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 252.32 g/mol, XLogP of -0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 83014327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).