ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate

C11H20N2O3 — CID 749176

IUPACethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H20N2O3/c1-4-16-11(15)13-7-5-12(6-8-13)10(14)9(2)3/h9H,4-8H2,1-3H3
InChIKeyNJSVUGYOUUPMKR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.94
Rot. Bonds2

About ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate

ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate (PubChem CID 749176) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate
PubChem CID749176
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H20N2O3/c1-4-16-11(15)13-7-5-12(6-8-13)10(14)9(2)3/h9H,4-8H2,1-3H3
InChIKeyNJSVUGYOUUPMKR-UHFFFAOYSA-N
XLogP0.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate (CID 749176) is ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate?
The InChIKey is NJSVUGYOUUPMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-16-11(15)13-7-5-12(6-8-13)10(14)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate?
ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 749176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).