propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate

C14H23N3O4 — CID 54819983

IUPACpropyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate
SMILESC=CCNC(=O)CN1CCNC(=O)C1CC(=O)OCCC
InChIInChI=1S/C14H23N3O4/c1-3-5-15-12(18)10-17-7-6-16-14(20)11(17)9-13(19)21-8-4-2/h3,11H,1,4-10H2,2H3,(H,15,18)(H,16,20)
InChIKeyWMEOGLPUOMOQEB-UHFFFAOYSA-N
MW297.35 g/mol
LogP-0.57
Rot. Bonds8

About propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate

propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate (PubChem CID 54819983) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate
PubChem CID54819983
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Namepropyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate
SMILESC=CCNC(=O)CN1CCNC(=O)C1CC(=O)OCCC
InChIInChI=1S/C14H23N3O4/c1-3-5-15-12(18)10-17-7-6-16-14(20)11(17)9-13(19)21-8-4-2/h3,11H,1,4-10H2,2H3,(H,15,18)(H,16,20)
InChIKeyWMEOGLPUOMOQEB-UHFFFAOYSA-N
XLogP-0.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-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

Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
Tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 4935497
Tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
Ethyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 355561
Methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate
CID 2959122
2-Methoxyethyl 2-(3-oxo-2-piperazinyl)acetate
CID 4779116
Ethyl [1-(2-cyanoethyl)-3-oxopiperazin-2-yl]acetate
CID 70702346
Ethyl (5-methyl-3-oxopiperazin-2-yl)acetate
CID 74889538
methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate
CID 946789
2,5-Diketopiperazin-3,6-diessigsaurediathylester
CID 129642751
Ethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
CID 110283306
Butyl 2-(3-oxopiperazin-2-yl)acetate
CID 3308359

Frequently Asked Questions

What is the IUPAC name of propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate?
The IUPAC name of propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate (CID 54819983) is propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate.
What is the SMILES notation for propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate?
The canonical SMILES for propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate is C=CCNC(=O)CN1CCNC(=O)C1CC(=O)OCCC.
What is the InChIKey of propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate?
The InChIKey is WMEOGLPUOMOQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-5-15-12(18)10-17-7-6-16-14(20)11(17)9-13(19)21-8-4-2/h3,11H,1,4-10H2,2H3,(H,15,18)(H,16,20).
What are the key properties of propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate?
propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate has a molecular weight of 297.35 g/mol, XLogP of -0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[3-oxo-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-2-yl]acetate is sourced from PubChem (CID 54819983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).