1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione

C14H23N3O3 — CID 58051393

IUPAC1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione
SMILESCOCCN1CCN(CCCN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C14H23N3O3/c1-20-12-11-16-9-7-15(8-10-16)5-2-6-17-13(18)3-4-14(17)19/h3-4H,2,5-12H2,1H3
InChIKeyDZZKFRJYFDEBOF-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.43
Rot. Bonds7

About 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione

1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione (PubChem CID 58051393) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione
PubChem CID58051393
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione
SMILESCOCCN1CCN(CCCN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C14H23N3O3/c1-20-12-11-16-9-7-15(8-10-16)5-2-6-17-13(18)3-4-14(17)19/h3-4H,2,5-12H2,1H3
InChIKeyDZZKFRJYFDEBOF-UHFFFAOYSA-N
XLogP-0.43
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.43
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 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione (CID 58051393) is 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione is COCCN1CCN(CCCN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione?
The InChIKey is DZZKFRJYFDEBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-20-12-11-16-9-7-15(8-10-16)5-2-6-17-13(18)3-4-14(17)19/h3-4H,2,5-12H2,1H3.
What are the key properties of 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione?
1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 58051393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).