methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate

C10H18N2O3 — CID 138986882

IUPACmethyl 4-(2-methylpropanoyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C(C)C)CCN1
InChIInChI=1S/C10H18N2O3/c1-7(2)9(13)12-5-4-11-8(6-12)10(14)15-3/h7-8,11H,4-6H2,1-3H3
InChIKeyWGHILXCZJYFKJB-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.38
Rot. Bonds2

About methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate

methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate (PubChem CID 138986882) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methylpropanoyl)piperazine-2-carboxylate
PubChem CID138986882
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 4-(2-methylpropanoyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C(C)C)CCN1
InChIInChI=1S/C10H18N2O3/c1-7(2)9(13)12-5-4-11-8(6-12)10(14)15-3/h7-8,11H,4-6H2,1-3H3
InChIKeyWGHILXCZJYFKJB-UHFFFAOYSA-N
XLogP-0.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate?
The IUPAC name of methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate (CID 138986882) is methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate is COC(=O)C1CN(C(=O)C(C)C)CCN1.
What is the InChIKey of methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate?
The InChIKey is WGHILXCZJYFKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)9(13)12-5-4-11-8(6-12)10(14)15-3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate?
methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate has a molecular weight of 214.26 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylpropanoyl)piperazine-2-carboxylate is sourced from PubChem (CID 138986882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).