ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate

C11H18F3N3O3 — CID 79805516

IUPACethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O3/c1-3-20-9(19)17-6-4-16(5-7-17)8(18)10(2,15)11(12,13)14/h3-7,15H2,1-2H3
InChIKeyUARVMNVUKPGSQB-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.57
Rot. Bonds2

About ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate

ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate (PubChem CID 79805516) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate
PubChem CID79805516
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Nameethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O3/c1-3-20-9(19)17-6-4-16(5-7-17)8(18)10(2,15)11(12,13)14/h3-7,15H2,1-2H3
InChIKeyUARVMNVUKPGSQB-UHFFFAOYSA-N
XLogP0.57
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate (CID 79805516) is ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(C)(N)C(F)(F)F)CC1.
What is the InChIKey of ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate?
The InChIKey is UARVMNVUKPGSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-3-20-9(19)17-6-4-16(5-7-17)8(18)10(2,15)11(12,13)14/h3-7,15H2,1-2H3.
What are the key properties of ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate?
ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate has a molecular weight of 297.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 79805516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).