1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione

C17H23N3O3 — CID 17409958

IUPAC1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(N2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-23-12-11-20-16(21)13-15(17(20)22)19-9-7-18(8-10-19)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyQKNUBEYWOFTHRD-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.58
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione

1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 17409958) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID17409958
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(N2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-23-12-11-20-16(21)13-15(17(20)22)19-9-7-18(8-10-19)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyQKNUBEYWOFTHRD-UHFFFAOYSA-N
XLogP0.58
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.58
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-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 17409958) is 1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is COCCN1C(=O)CC(N2CCN(c3ccccc3)CC2)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is QKNUBEYWOFTHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-12-11-20-16(21)13-15(17(20)22)19-9-7-18(8-10-19)14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 317.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 17409958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).