methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate

C12H23N3O3 — CID 70950413

IUPACmethyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate
SMILESCCC(C)(C)NC(=O)N1CCN(C(=O)OC)CC1
InChIInChI=1S/C12H23N3O3/c1-5-12(2,3)13-10(16)14-6-8-15(9-7-14)11(17)18-4/h5-9H2,1-4H3,(H,13,16)
InChIKeyYDEMNGSXWLKKLD-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.27
Rot. Bonds2

About methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate

methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate (PubChem CID 70950413) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate
PubChem CID70950413
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Namemethyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate
SMILESCCC(C)(C)NC(=O)N1CCN(C(=O)OC)CC1
InChIInChI=1S/C12H23N3O3/c1-5-12(2,3)13-10(16)14-6-8-15(9-7-14)11(17)18-4/h5-9H2,1-4H3,(H,13,16)
InChIKeyYDEMNGSXWLKKLD-UHFFFAOYSA-N
XLogP1.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate (CID 70950413) is methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate is CCC(C)(C)NC(=O)N1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is YDEMNGSXWLKKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-5-12(2,3)13-10(16)14-6-8-15(9-7-14)11(17)18-4/h5-9H2,1-4H3,(H,13,16).
What are the key properties of methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate?
methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylbutan-2-ylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 70950413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).