ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride

C8H15ClN2O3 — CID 54594005

IUPACethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride
SMILESCCOC(=O)C(=O)N1CCNCC1.Cl
InChIInChI=1S/C8H14N2O3.ClH/c1-2-13-8(12)7(11)10-5-3-9-4-6-10;/h9H,2-6H2,1H3;1H
InChIKeyPLWBWOUORMGVQO-UHFFFAOYSA-N
MW222.67 g/mol
LogP-0.60
Rot. Bonds1

About ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride

ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride (PubChem CID 54594005) has the molecular formula C8H15ClN2O3 and a molecular weight of 222.67 g/mol. Its IUPAC name is ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride
PubChem CID54594005
Molecular FormulaC8H15ClN2O3
Molecular Weight222.67 g/mol
Exact Mass222.08
IUPAC Nameethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride
SMILESCCOC(=O)C(=O)N1CCNCC1.Cl
InChIInChI=1S/C8H14N2O3.ClH/c1-2-13-8(12)7(11)10-5-3-9-4-6-10;/h9H,2-6H2,1H3;1H
InChIKeyPLWBWOUORMGVQO-UHFFFAOYSA-N
XLogP-0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(2-aminoacetamido)acetate hydrochloride
CID 2827263
2-Methoxy-1-(piperazin-1-yl)ethan-1-one
CID 13715572
2-Ethoxy-1-(piperazin-1-yl)ethan-1-one
CID 13715574
2-(Methylamino)-1-(morpholin-4-yl)ethan-1-one hydrochloride
CID 17750372
Ethyl (4-ethyl-1-piperazinyl)(oxo)acetate
CID 2166906
Morpholine-2,5-dione
CID 1714329
Ethyl ((3-(4-morpholinyl)propyl)amino)(oxo)acetate
CID 366851
Ethyl {[2-(morpholin-4-YL)ethyl]carbamoyl}formate
CID 5152769
4-(2-Aminoethyl)morpholin-3-one hydrochloride
CID 121552799
3,6-Dioxopiperazine-2,5-diyl diacetate
CID 337888
Ethyl 2-(4-methylpiperazin-1-yl)-2-oxoacetate
CID 3255797
Morpholine-2,3-dione
CID 5108689

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride?
The IUPAC name of ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride (CID 54594005) is ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride?
The canonical SMILES for ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride is CCOC(=O)C(=O)N1CCNCC1.Cl.
What is the InChIKey of ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride?
The InChIKey is PLWBWOUORMGVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3.ClH/c1-2-13-8(12)7(11)10-5-3-9-4-6-10;/h9H,2-6H2,1H3;1H.
What are the key properties of ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride?
ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride has a molecular weight of 222.67 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-piperazin-1-ylacetate;hydrochloride is sourced from PubChem (CID 54594005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).