4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide

C15H17N3O4 — CID 19880173

IUPAC4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C=O)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C15H17N3O4/c1-2-17-8-9-18(14(21)13(17)20)15(22)16-12(10-19)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,16,22)
InChIKeyUTSZRZZHZMNLPD-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.33
Rot. Bonds4

About 4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide

4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide (PubChem CID 19880173) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide
PubChem CID19880173
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C=O)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C15H17N3O4/c1-2-17-8-9-18(14(21)13(17)20)15(22)16-12(10-19)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,16,22)
InChIKeyUTSZRZZHZMNLPD-UHFFFAOYSA-N
XLogP0.33
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2,3-dioxo-N-[2-oxo-1-(4-phenylmethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 54395902
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetate
CID 7157273
N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide
CID 19833690
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl chloride
CID 13212084
[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl formate
CID 173444536
4-ethyl-N-[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-oxopropyl]-2,3-dioxopiperazine-1-carboxamide
CID 54165696
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetate
CID 7021031
4-ethyl-N-[4-methylsulfanyl-1-oxo-1-[N-(2-oxoethyl)anilino]butan-2-yl]-2,3-dioxopiperazine-1-carboxamide
CID 21244572
1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
CID 60886984
S-[(2R,3R)-3-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-oxoazetidin-2-yl] ethanethioate
CID 152768522
4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium
CID 59188807
4-ethyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dioxopiperazine-1-carboxamide
CID 90625137

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide (CID 19880173) is 4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide is CCN1CCN(C(=O)NC(C=O)c2ccccc2)C(=O)C1=O.
What is the InChIKey of 4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide?
The InChIKey is UTSZRZZHZMNLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-17-8-9-18(14(21)13(17)20)15(22)16-12(10-19)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,16,22).
What are the key properties of 4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide?
4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 19880173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).