ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate

C11H20N2O3 — CID 63615548

IUPACethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCN(C)C(CC)C1
InChIInChI=1S/C11H20N2O3/c1-4-9-8-13(7-6-12(9)3)10(14)11(15)16-5-2/h9H,4-8H2,1-3H3
InChIKeyAIPCVBNUGFOHMI-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.10
Rot. Bonds2

About ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate

ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate (PubChem CID 63615548) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate
PubChem CID63615548
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCN(C)C(CC)C1
InChIInChI=1S/C11H20N2O3/c1-4-9-8-13(7-6-12(9)3)10(14)11(15)16-5-2/h9H,4-8H2,1-3H3
InChIKeyAIPCVBNUGFOHMI-UHFFFAOYSA-N
XLogP0.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
ethyl 2-(3-aminopyrrolidin-1-yl)-2-oxoacetate
CID 62068517
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one
CID 79023529
ethyl 2-(2-methylmorpholin-4-yl)-2-oxoacetate
CID 60893749
3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 63610949
ethyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoacetate
CID 79945645
ethyl 2-(4-cyclopropylpiperazin-1-yl)-2-oxoacetate
CID 61443814
ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetate
CID 60894850
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114898444
ethyl 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetate
CID 63174646
ethyl 2-(3-aminopiperidin-1-yl)-2-oxoacetate;hydrochloride
CID 75526665
3-(3-ethyl-4-methylpiperazine-1-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836583

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate (CID 63615548) is ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate is CCOC(=O)C(=O)N1CCN(C)C(CC)C1.
What is the InChIKey of ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate?
The InChIKey is AIPCVBNUGFOHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-9-8-13(7-6-12(9)3)10(14)11(15)16-5-2/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate?
ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate has a molecular weight of 228.29 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate is sourced from PubChem (CID 63615548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).