tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate

C12H23N3O3 — CID 47252237

IUPACtert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate
SMILESCCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-5-13-10(16)14-6-8-15(9-7-14)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,13,16)
InChIKeyLLCLPVWQQMAGEF-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.27
Rot. Bonds1

About tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate

tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 47252237) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate
PubChem CID47252237
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate
SMILESCCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-5-13-10(16)14-6-8-15(9-7-14)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,13,16)
InChIKeyLLCLPVWQQMAGEF-UHFFFAOYSA-N
XLogP1.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate (CID 47252237) is tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate is CCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is LLCLPVWQQMAGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-5-13-10(16)14-6-8-15(9-7-14)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate?
tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 47252237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).