3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione

C15H18N2O3 — CID 66068748

IUPAC3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(C)C(=O)c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-3-12-15(20)16-13(18)9-17(12)10(2)14(19)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,16,18,20)
InChIKeyWRZIYNOSLWRWKI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.99
Rot. Bonds4

About 3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione

3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione (PubChem CID 66068748) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione
PubChem CID66068748
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(C)C(=O)c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-3-12-15(20)16-13(18)9-17(12)10(2)14(19)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,16,18,20)
InChIKeyWRZIYNOSLWRWKI-UHFFFAOYSA-N
XLogP0.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068482
3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one
CID 63601850
4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
CID 66069529
3-ethyl-4-[2-[(1S)-1-hydroxyethyl]phenyl]piperazine-2,6-dione
CID 66068935
4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068677
4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione
CID 79026795
3-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]benzoic acid
CID 66069699
4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione
CID 66068683
4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione
CID 66067712
4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
CID 66068681
4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione
CID 66069345
4-(2-benzylsulfanylacetyl)-3-ethylpiperazine-2,6-dione
CID 66068319

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione (CID 66068748) is 3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(C)C(=O)c1ccccc1.
What is the InChIKey of 3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione?
The InChIKey is WRZIYNOSLWRWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-12-15(20)16-13(18)9-17(12)10(2)14(19)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,16,18,20).
What are the key properties of 3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione?
3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione has a molecular weight of 274.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione is sourced from PubChem (CID 66068748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).