2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide

C14H18N4O3 — CID 63574106

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide
SMILESCCN1CCN(C(C(=O)NN)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C14H18N4O3/c1-2-17-8-9-18(14(21)13(17)20)11(12(19)16-15)10-6-4-3-5-7-10/h3-7,11H,2,8-9,15H2,1H3,(H,16,19)
InChIKeyPXTHYIJZMRUORP-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.59
Rot. Bonds4

About 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide (PubChem CID 63574106) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide
PubChem CID63574106
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide
SMILESCCN1CCN(C(C(=O)NN)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C14H18N4O3/c1-2-17-8-9-18(14(21)13(17)20)11(12(19)16-15)10-6-4-3-5-7-10/h3-7,11H,2,8-9,15H2,1H3,(H,16,19)
InChIKeyPXTHYIJZMRUORP-UHFFFAOYSA-N
XLogP-0.59
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-cycloheptyl-2-phenylacetamide
CID 70731262
(2S)-2-(4-butyl-2,3-dioxopiperazin-1-yl)-N-(4-hydroxycyclohexyl)-2-phenylacetamide
CID 98246454
1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
CID 60886984
N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide
CID 19833690
2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
4-(4-ethyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
CID 63572222
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetate
CID 7157273
2-(4-butyl-2,3-dioxopiperazin-1-yl)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 70782632
2-(4-butyl-2,3-dioxopiperazin-1-yl)-2-phenyl-N-(pyrimidin-4-ylmethyl)acetamide
CID 70751435
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl chloride
CID 13212084
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide
CID 19880173

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide (CID 63574106) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide is CCN1CCN(C(C(=O)NN)c2ccccc2)C(=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide?
The InChIKey is PXTHYIJZMRUORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-17-8-9-18(14(21)13(17)20)11(12(19)16-15)10-6-4-3-5-7-10/h3-7,11H,2,8-9,15H2,1H3,(H,16,19).
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide has a molecular weight of 290.32 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 63574106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).