ethyl 4-carbamoylpiperazine-1-carboxylate

C8H15N3O3 — CID 82076471

IUPACethyl 4-carbamoylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(N)=O)CC1
InChIInChI=1S/C8H15N3O3/c1-2-14-8(13)11-5-3-10(4-6-11)7(9)12/h2-6H2,1H3,(H2,9,12)
InChIKeyXAZYMMNOLTYSFQ-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.16
Rot. Bonds1

About ethyl 4-carbamoylpiperazine-1-carboxylate

ethyl 4-carbamoylpiperazine-1-carboxylate (PubChem CID 82076471) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is ethyl 4-carbamoylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoylpiperazine-1-carboxylate
PubChem CID82076471
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Nameethyl 4-carbamoylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(N)=O)CC1
InChIInChI=1S/C8H15N3O3/c1-2-14-8(13)11-5-3-10(4-6-11)7(9)12/h2-6H2,1H3,(H2,9,12)
InChIKeyXAZYMMNOLTYSFQ-UHFFFAOYSA-N
XLogP-0.16
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
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CID 58731641
ethyl pyrrolidine-1-carboxylate;methanol
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ethyl azacycloundecane-1-carboxylate
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bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
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ethyl 4-(N'-methylcarbamimidoyl)piperazine-1-carboxylate;hydroiodide
CID 111163467
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
CID 58181055
CID 58181055
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-(2,4-diamino-4-oxobutanoyl)piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-carbamoylpiperazine-1-carboxylate (CID 82076471) is ethyl 4-carbamoylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-carbamoylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-carbamoylpiperazine-1-carboxylate is CCOC(=O)N1CCN(C(N)=O)CC1.
What is the InChIKey of ethyl 4-carbamoylpiperazine-1-carboxylate?
The InChIKey is XAZYMMNOLTYSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-2-14-8(13)11-5-3-10(4-6-11)7(9)12/h2-6H2,1H3,(H2,9,12).
What are the key properties of ethyl 4-carbamoylpiperazine-1-carboxylate?
ethyl 4-carbamoylpiperazine-1-carboxylate has a molecular weight of 201.23 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoylpiperazine-1-carboxylate is sourced from PubChem (CID 82076471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).