4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium

C16H19N4O4Y- — CID 59188807

IUPAC4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium
SMILESCCN1CCN(C(=O)NC(C(=O)NC)c2cc[c-]cc2)C(=O)C1=O.[Y]
InChIInChI=1S/C16H19N4O4.Y/c1-3-19-9-10-20(15(23)14(19)22)16(24)18-12(13(21)17-2)11-7-5-4-6-8-11;/h5-8,12H,3,9-10H2,1-2H3,(H,17,21)(H,18,24);/q-1;
InChIKeyFUBJSBVVGVVPJU-UHFFFAOYSA-N
MW420.26 g/mol
LogP-0.33
Rot. Bonds4

About 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium

4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium (PubChem CID 59188807) has the molecular formula C16H19N4O4Y- and a molecular weight of 420.26 g/mol. Its IUPAC name is 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium.

Molecular Properties

Compound Name4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium
PubChem CID59188807
Molecular FormulaC16H19N4O4Y-
Molecular Weight420.26 g/mol
Exact Mass420.05
IUPAC Name4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium
SMILESCCN1CCN(C(=O)NC(C(=O)NC)c2cc[c-]cc2)C(=O)C1=O.[Y]
InChIInChI=1S/C16H19N4O4.Y/c1-3-19-9-10-20(15(23)14(19)22)16(24)18-12(13(21)17-2)11-7-5-4-6-8-11;/h5-8,12H,3,9-10H2,1-2H3,(H,17,21)(H,18,24);/q-1;
InChIKeyFUBJSBVVGVVPJU-UHFFFAOYSA-N
XLogP-0.33
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetate
CID 7157273
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetate
CID 7021031
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
[[(2R)-2-(4-aminophenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]methylboronic acid
CID 134814907
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-2,3-dioxo-N-(2-oxo-1-phenylethyl)piperazine-1-carboxamide
CID 19880173
potassium (3R)-3-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3-methoxy-2-oxoazetidine-1-sulfonate
CID 23692943
N-[1-(3-chloro-4-methoxyphenyl)-2-oxo-2-[(2-oxoazetidin-3-yl)amino]ethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
CID 70579442
sodium 6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 23702394
(2S,5R)-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 59024672

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium?
The IUPAC name of 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium (CID 59188807) is 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium.
What is the SMILES notation for 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium?
The canonical SMILES for 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium is CCN1CCN(C(=O)NC(C(=O)NC)c2cc[c-]cc2)C(=O)C1=O.[Y].
What is the InChIKey of 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium?
The InChIKey is FUBJSBVVGVVPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N4O4.Y/c1-3-19-9-10-20(15(23)14(19)22)16(24)18-12(13(21)17-2)11-7-5-4-6-8-11;/h5-8,12H,3,9-10H2,1-2H3,(H,17,21)(H,18,24);/q-1;.
What are the key properties of 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium?
4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium has a molecular weight of 420.26 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dioxopiperazine-1-carboxamide;yttrium is sourced from PubChem (CID 59188807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).