ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride

C11H19ClN2O3 — CID 110283016

IUPACethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
SMILESC=CCN1CCNC(CC(=O)OCC)C1=O.Cl
InChIInChI=1S/C11H18N2O3.ClH/c1-3-6-13-7-5-12-9(11(13)15)8-10(14)16-4-2;/h3,9,12H,1,4-8H2,2H3;1H
InChIKeyCAAFFPTXPPNDGA-UHFFFAOYSA-N
MW262.74 g/mol
LogP0.35
Rot. Bonds5

About ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride

ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride (PubChem CID 110283016) has the molecular formula C11H19ClN2O3 and a molecular weight of 262.74 g/mol. Its IUPAC name is ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
PubChem CID110283016
Molecular FormulaC11H19ClN2O3
Molecular Weight262.74 g/mol
Exact Mass262.11
IUPAC Nameethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride
SMILESC=CCN1CCNC(CC(=O)OCC)C1=O.Cl
InChIInChI=1S/C11H18N2O3.ClH/c1-3-6-13-7-5-12-9(11(13)15)8-10(14)16-4-2;/h3,9,12H,1,4-8H2,2H3;1H
InChIKeyCAAFFPTXPPNDGA-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate
CID 110282529
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283038
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1-prop-2-enylpiperazin-2-one
CID 110283061
ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 110283992
methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate
CID 86316765
propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride
CID 110282532
ethyl 2-[(2R)-3-oxopiperazin-2-yl]acetate
CID 730145
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283062
N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
CID 110283705
benzyl 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetate
CID 110283700
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetamide
CID 110283554

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride (CID 110283016) is ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride is C=CCN1CCNC(CC(=O)OCC)C1=O.Cl.
What is the InChIKey of ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride?
The InChIKey is CAAFFPTXPPNDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.ClH/c1-3-6-13-7-5-12-9(11(13)15)8-10(14)16-4-2;/h3,9,12H,1,4-8H2,2H3;1H.
What are the key properties of ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride?
ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-4-prop-2-enylpiperazin-2-yl)acetate;hydrochloride is sourced from PubChem (CID 110283016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).