methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid

C10H15F3N2O5 — CID 175918339

IUPACmethyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)C1CN(C(C)=O)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O3.C2HF3O2/c1-6(11)10-4-3-9-7(5-10)8(12)13-2;3-2(4,5)1(6)7/h7,9H,3-5H2,1-2H3;(H,6,7)
InChIKeyUAIRQWVCKURTOG-UHFFFAOYSA-N
MW300.23 g/mol
LogP-0.39
Rot. Bonds1

About methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid

methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid (PubChem CID 175918339) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid
PubChem CID175918339
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Namemethyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)C1CN(C(C)=O)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O3.C2HF3O2/c1-6(11)10-4-3-9-7(5-10)8(12)13-2;3-2(4,5)1(6)7/h7,9H,3-5H2,1-2H3;(H,6,7)
InChIKeyUAIRQWVCKURTOG-UHFFFAOYSA-N
XLogP-0.39
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid (CID 175918339) is methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid is COC(=O)C1CN(C(C)=O)CCN1.O=C(O)C(F)(F)F.
What is the InChIKey of methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid?
The InChIKey is UAIRQWVCKURTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3.C2HF3O2/c1-6(11)10-4-3-9-7(5-10)8(12)13-2;3-2(4,5)1(6)7/h7,9H,3-5H2,1-2H3;(H,6,7).
What are the key properties of methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid?
methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid has a molecular weight of 300.23 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetylpiperazine-2-carboxylate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175918339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).