2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H12F3N3O2 — CID 62310213

IUPAC2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCNCC1=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)5-13-6(15)4-14-2-1-12-3-7(14)16/h12H,1-5H2,(H,13,15)
InChIKeyKEZGXQPIYVWSRN-UHFFFAOYSA-N
MW239.20 g/mol
LogP-0.90
Rot. Bonds3

About 2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62310213) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62310213
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCNCC1=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)5-13-6(15)4-14-2-1-12-3-7(14)16/h12H,1-5H2,(H,13,15)
InChIKeyKEZGXQPIYVWSRN-UHFFFAOYSA-N
XLogP-0.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 62310213) is 2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCNCC1=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KEZGXQPIYVWSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)5-13-6(15)4-14-2-1-12-3-7(14)16/h12H,1-5H2,(H,13,15).
What are the key properties of 2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 239.20 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62310213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).