methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate

C9H11F3N2O4 — CID 4859280

IUPACmethyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O4/c1-18-6(15)4-5-7(16)13-2-3-14(5)8(17)9(10,11)12/h5H,2-4H2,1H3,(H,13,16)
InChIKeyJFHODIUOJWNGMA-UHFFFAOYSA-N
MW268.19 g/mol
LogP-0.56
Rot. Bonds2

About methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate

methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate (PubChem CID 4859280) has the molecular formula C9H11F3N2O4 and a molecular weight of 268.19 g/mol. Its IUPAC name is methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate
PubChem CID4859280
Molecular FormulaC9H11F3N2O4
Molecular Weight268.19 g/mol
Exact Mass268.07
IUPAC Namemethyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O4/c1-18-6(15)4-5-7(16)13-2-3-14(5)8(17)9(10,11)12/h5H,2-4H2,1H3,(H,13,16)
InChIKeyJFHODIUOJWNGMA-UHFFFAOYSA-N
XLogP-0.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(3-oxopiperazin-2-yl)acetate
CID 2998378
Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
Methyl {1-[(ethylamino)carbonyl]-3-oxopiperazin-2-yl}acetate
CID 2954797
Methyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 21738762
Tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
methyl 2-[(2S)-3,6-dioxopiperazin-2-yl]acetate
CID 53808487
Ethyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 355561
methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate
CID 57348447
Methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate
CID 2959122
2-Methoxyethyl 2-(3-oxo-2-piperazinyl)acetate
CID 4779116
2-methoxyethyl [(S)-3-oxo-2-piperazinyl]acetate
CID 9319831
Ethyl (5-methyl-3-oxopiperazin-2-yl)acetate
CID 74889538

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate (CID 4859280) is methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)C(F)(F)F.
What is the InChIKey of methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate?
The InChIKey is JFHODIUOJWNGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4/c1-18-6(15)4-5-7(16)13-2-3-14(5)8(17)9(10,11)12/h5H,2-4H2,1H3,(H,13,16).
What are the key properties of methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate?
methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate has a molecular weight of 268.19 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-oxo-1-(2,2,2-trifluoroacetyl)piperazin-2-yl]acetate is sourced from PubChem (CID 4859280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).