ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate

C10H18N2O3 — CID 2166906

IUPACethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCN(CC)CC1
InChIInChI=1S/C10H18N2O3/c1-3-11-5-7-12(8-6-11)9(13)10(14)15-4-2/h3-8H2,1-2H3
InChIKeyJYMFFXMOWHAVFB-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.29
Rot. Bonds2

About ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate

ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate (PubChem CID 2166906) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate
PubChem CID2166906
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCN(CC)CC1
InChIInChI=1S/C10H18N2O3/c1-3-11-5-7-12(8-6-11)9(13)10(14)15-4-2/h3-8H2,1-2H3
InChIKeyJYMFFXMOWHAVFB-UHFFFAOYSA-N
XLogP-0.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate (CID 2166906) is ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate is CCOC(=O)C(=O)N1CCN(CC)CC1.
What is the InChIKey of ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate?
The InChIKey is JYMFFXMOWHAVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-11-5-7-12(8-6-11)9(13)10(14)15-4-2/h3-8H2,1-2H3.
What are the key properties of ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate?
ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate has a molecular weight of 214.26 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethylpiperazin-1-yl)-2-oxoacetate is sourced from PubChem (CID 2166906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).