1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione

C14H18N2O3 — CID 60886984

IUPAC1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
SMILESCCN1CCN(CC(O)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C14H18N2O3/c1-2-15-8-9-16(14(19)13(15)18)10-12(17)11-6-4-3-5-7-11/h3-7,12,17H,2,8-10H2,1H3
InChIKeyRGIMFYDQVXVNMZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.41
Rot. Bonds4

About 1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione

1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione (PubChem CID 60886984) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
PubChem CID60886984
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
SMILESCCN1CCN(CC(O)c2ccccc2)C(=O)C1=O
InChIInChI=1S/C14H18N2O3/c1-2-15-8-9-16(14(19)13(15)18)10-12(17)11-6-4-3-5-7-11/h3-7,12,17H,2,8-10H2,1H3
InChIKeyRGIMFYDQVXVNMZ-UHFFFAOYSA-N
XLogP0.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione
CID 62266993
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetate
CID 7157273
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide
CID 63574106
4-(2-hydroxy-2-phenylethyl)morpholin-3-one
CID 79469635
N-(2-amino-2-oxo-1-phenylethyl)-4-ethyl-2,3-dioxopiperazine-1-carboxamide
CID 19833690
4-ethyl-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide
CID 19880173
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl chloride
CID 13212084
[[carboxy(phenyl)methyl]amino]-(4-ethyl-2,3-dioxopiperazin-1-yl)-oxophosphanium
CID 174841106
2-(2-hydroxy-2-phenylethyl)-5-methyl-3H-isoindol-1-one
CID 90873430
(5S)-5-tert-butyl-1-[(2S)-2-hydroxy-2-phenylethyl]azepan-2-one
CID 101253981
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
1-ethyl-4-(4-oxo-4-phenylbutyl)piperazine-2,3-dione
CID 62017487

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione (CID 60886984) is 1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione is CCN1CCN(CC(O)c2ccccc2)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione?
The InChIKey is RGIMFYDQVXVNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-15-8-9-16(14(19)13(15)18)10-12(17)11-6-4-3-5-7-11/h3-7,12,17H,2,8-10H2,1H3.
What are the key properties of 1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione?
1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione has a molecular weight of 262.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione is sourced from PubChem (CID 60886984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).