3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione

C24H36FN3O3 — CID 69433853

IUPAC3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESCCC1C(=O)N(CCCN2CCN(c3cc(F)ccc3OC(C)C)CC2)C(=O)C1CC
InChIInChI=1S/C24H36FN3O3/c1-5-19-20(6-2)24(30)28(23(19)29)11-7-10-26-12-14-27(15-13-26)21-16-18(25)8-9-22(21)31-17(3)4/h8-9,16-17,19-20H,5-7,10-15H2,1-4H3
InChIKeyFKYKWUQZGNEXFS-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.55
Rot. Bonds9

About 3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione

3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 69433853) has the molecular formula C24H36FN3O3 and a molecular weight of 433.57 g/mol. Its IUPAC name is 3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID69433853
Molecular FormulaC24H36FN3O3
Molecular Weight433.57 g/mol
Exact Mass433.27
IUPAC Name3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESCCC1C(=O)N(CCCN2CCN(c3cc(F)ccc3OC(C)C)CC2)C(=O)C1CC
InChIInChI=1S/C24H36FN3O3/c1-5-19-20(6-2)24(30)28(23(19)29)11-7-10-26-12-14-27(15-13-26)21-16-18(25)8-9-22(21)31-17(3)4/h8-9,16-17,19-20H,5-7,10-15H2,1-4H3
InChIKeyFKYKWUQZGNEXFS-UHFFFAOYSA-N
XLogP3.55
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.55
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 3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione (CID 69433853) is 3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione is CCC1C(=O)N(CCCN2CCN(c3cc(F)ccc3OC(C)C)CC2)C(=O)C1CC.
What is the InChIKey of 3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is FKYKWUQZGNEXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN3O3/c1-5-19-20(6-2)24(30)28(23(19)29)11-7-10-26-12-14-27(15-13-26)21-16-18(25)8-9-22(21)31-17(3)4/h8-9,16-17,19-20H,5-7,10-15H2,1-4H3.
What are the key properties of 3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 433.57 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 69433853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).