bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate

C14H22N2O8 — CID 175064329

IUPACbis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
SMILESCCOC(=O)COC(=O)N1CCN(C(=O)OCC(=O)OCC)CC1
InChIInChI=1S/C14H22N2O8/c1-3-21-11(17)9-23-13(19)15-5-7-16(8-6-15)14(20)24-10-12(18)22-4-2/h3-10H2,1-2H3
InChIKeyZNKLPCUZIKKEEI-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.00
Rot. Bonds6

About bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate

bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate (PubChem CID 175064329) has the molecular formula C14H22N2O8 and a molecular weight of 346.34 g/mol. Its IUPAC name is bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
PubChem CID175064329
Molecular FormulaC14H22N2O8
Molecular Weight346.34 g/mol
Exact Mass346.14
IUPAC Namebis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
SMILESCCOC(=O)COC(=O)N1CCN(C(=O)OCC(=O)OCC)CC1
InChIInChI=1S/C14H22N2O8/c1-3-21-11(17)9-23-13(19)15-5-7-16(8-6-15)14(20)24-10-12(18)22-4-2/h3-10H2,1-2H3
InChIKeyZNKLPCUZIKKEEI-UHFFFAOYSA-N
XLogP0.00
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(3-methoxy-3-oxopropanoyl)piperazine-1-carboxylate
CID 94692085
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
CID 58731641
CID 58731641
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
CID 54773405
CID 58181055
CID 58181055
(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate
CID 118050079
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate?
The IUPAC name of bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate (CID 175064329) is bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate.
What is the SMILES notation for bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate?
The canonical SMILES for bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate is CCOC(=O)COC(=O)N1CCN(C(=O)OCC(=O)OCC)CC1.
What is the InChIKey of bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate?
The InChIKey is ZNKLPCUZIKKEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O8/c1-3-21-11(17)9-23-13(19)15-5-7-16(8-6-15)14(20)24-10-12(18)22-4-2/h3-10H2,1-2H3.
What are the key properties of bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate?
bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate has a molecular weight of 346.34 g/mol, XLogP of 0.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate is sourced from PubChem (CID 175064329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).