3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione

C14H26N4O2 — CID 60923821

IUPAC3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCCN2CCN(C)CC2)C1=O
InChIInChI=1S/C14H26N4O2/c1-3-5-18-13(19)11-12(14(18)20)15-4-6-17-9-7-16(2)8-10-17/h12,15H,3-11H2,1-2H3
InChIKeyASMVLNWHJPUEJH-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.64
Rot. Bonds6

About 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione

3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione (PubChem CID 60923821) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
PubChem CID60923821
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCCN2CCN(C)CC2)C1=O
InChIInChI=1S/C14H26N4O2/c1-3-5-18-13(19)11-12(14(18)20)15-4-6-17-9-7-16(2)8-10-17/h12,15H,3-11H2,1-2H3
InChIKeyASMVLNWHJPUEJH-UHFFFAOYSA-N
XLogP-0.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.64
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 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione (CID 60923821) is 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NCCN2CCN(C)CC2)C1=O.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
The InChIKey is ASMVLNWHJPUEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-3-5-18-13(19)11-12(14(18)20)15-4-6-17-9-7-16(2)8-10-17/h12,15H,3-11H2,1-2H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione?
3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione has a molecular weight of 282.39 g/mol, XLogP of -0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 60923821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).