1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione

C16H21N3O2 — CID 739118

IUPAC1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21N3O2/c20-15-6-7-16(21)19(15)13-18-10-8-17(9-11-18)12-14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyWIJICIRJAQSICP-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.91
Rot. Bonds4

About 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione

1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 739118) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
PubChem CID739118
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21N3O2/c20-15-6-7-16(21)19(15)13-18-10-8-17(9-11-18)12-14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyWIJICIRJAQSICP-UHFFFAOYSA-N
XLogP0.91
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.91
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-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione (CID 739118) is 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is WIJICIRJAQSICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-6-7-16(21)19(15)13-18-10-8-17(9-11-18)12-14-4-2-1-3-5-14/h1-5H,6-13H2.
What are the key properties of 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione?
1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 739118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).