3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione

C17H23N3O2 — CID 54773621

IUPAC3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCC(C)c1ccccc1N1C(=O)CC(N2CCNCC2)C1=O
InChIInChI=1S/C17H23N3O2/c1-12(2)13-5-3-4-6-14(13)20-16(21)11-15(17(20)22)19-9-7-18-8-10-19/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyGFRXKGIWIBWJRU-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.35
Rot. Bonds3

About 3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione

3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione (PubChem CID 54773621) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione
PubChem CID54773621
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCC(C)c1ccccc1N1C(=O)CC(N2CCNCC2)C1=O
InChIInChI=1S/C17H23N3O2/c1-12(2)13-5-3-4-6-14(13)20-16(21)11-15(17(20)22)19-9-7-18-8-10-19/h3-6,12,15,18H,7-11H2,1-2H3
InChIKeyGFRXKGIWIBWJRU-UHFFFAOYSA-N
XLogP1.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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(+)-Bupivacaine
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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione (CID 54773621) is 3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione is CC(C)c1ccccc1N1C(=O)CC(N2CCNCC2)C1=O.
What is the InChIKey of 3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The InChIKey is GFRXKGIWIBWJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)13-5-3-4-6-14(13)20-16(21)11-15(17(20)22)19-9-7-18-8-10-19/h3-6,12,15,18H,7-11H2,1-2H3.
What are the key properties of 3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione?
3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione has a molecular weight of 301.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 54773621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).