butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate

C12H20N2O4 — CID 54979342

IUPACbutyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C12H20N2O4/c1-3-5-8-18-10(15)9-14-7-6-13(4-2)11(16)12(14)17/h3-9H2,1-2H3
InChIKeySOYVWOXFPQQQEA-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.02
Rot. Bonds6

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

butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate (PubChem CID 54979342) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
PubChem CID54979342
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namebutyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C12H20N2O4/c1-3-5-8-18-10(15)9-14-7-6-13(4-2)11(16)12(14)17/h3-9H2,1-2H3
InChIKeySOYVWOXFPQQQEA-UHFFFAOYSA-N
XLogP0.02
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate 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

butyl 2-(5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetate
CID 104525118
nonyl 2-(2-oxopyrrolidin-1-yl)acetate
CID 10778404
butyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetate
CID 54942288
butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114508947
butyl 2-(4,4-dimethylpiperidin-1-yl)acetate
CID 62922575
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
4-(4-ethyl-2,3-dioxopiperazin-1-yl)-3-methylbut-2-enoic acid
CID 77005760
butyl 2-(4-hydroxy-4-methylpiperidin-1-yl)acetate
CID 80702994
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
CID 63609586
butyl 2-(3,3-difluoroazetidin-1-yl)acetate
CID 71244409
2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid
CID 156786256
butyl 2-(4-butan-2-ylpiperazin-1-yl)acetate
CID 62775211

Frequently Asked Questions

What is the IUPAC name of butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
The IUPAC name of butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate (CID 54979342) is butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate.
What is the SMILES notation for butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
The canonical SMILES for butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate is CCCCOC(=O)CN1CCN(CC)C(=O)C1=O.
What is the InChIKey of butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
The InChIKey is SOYVWOXFPQQQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-5-8-18-10(15)9-14-7-6-13(4-2)11(16)12(14)17/h3-9H2,1-2H3.
What are the key properties of butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate has a molecular weight of 256.30 g/mol, XLogP of 0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate is sourced from PubChem (CID 54979342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).