methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate

C12H22N2O3 — CID 110818049

IUPACmethyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate
SMILESCCC(CC)C(=O)N1CCN(C(=O)OC)CC1
InChIInChI=1S/C12H22N2O3/c1-4-10(5-2)11(15)13-6-8-14(9-7-13)12(16)17-3/h10H,4-9H2,1-3H3
InChIKeyPERQXDGQOOUYCJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.33
Rot. Bonds3

About methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate

methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate (PubChem CID 110818049) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate
PubChem CID110818049
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate
SMILESCCC(CC)C(=O)N1CCN(C(=O)OC)CC1
InChIInChI=1S/C12H22N2O3/c1-4-10(5-2)11(15)13-6-8-14(9-7-13)12(16)17-3/h10H,4-9H2,1-3H3
InChIKeyPERQXDGQOOUYCJ-UHFFFAOYSA-N
XLogP1.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate (CID 110818049) is methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate is CCC(CC)C(=O)N1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate?
The InChIKey is PERQXDGQOOUYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-10(5-2)11(15)13-6-8-14(9-7-13)12(16)17-3/h10H,4-9H2,1-3H3.
What are the key properties of methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate?
methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethylbutanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 110818049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).