6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione

C16H22N2O2 — CID 64970133

IUPAC6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCC(C)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-14-16(20)17-11-15(19)18(14)10-9-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20)
InChIKeyRUOIITYPYQMCNL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.92
Rot. Bonds5

About 6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione

6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione (PubChem CID 64970133) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione
PubChem CID64970133
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCC(C)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-14-16(20)17-11-15(19)18(14)10-9-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20)
InChIKeyRUOIITYPYQMCNL-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione (CID 64970133) is 6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1CCC(C)c1ccccc1.
What is the InChIKey of 6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione?
The InChIKey is RUOIITYPYQMCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-14-16(20)17-11-15(19)18(14)10-9-12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,17,20).
What are the key properties of 6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione?
6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64970133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).