2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N3O2 — CID 55010099

IUPAC2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)C(=O)N1CCNCC1
InChIInChI=1S/C11H18F3N3O2/c1-2-5-17(8-11(12,13)14)10(19)9(18)16-6-3-15-4-7-16/h15H,2-8H2,1H3
InChIKeyUNGSURVQHAEEIZ-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.22
Rot. Bonds3

About 2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55010099) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55010099
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)C(=O)N1CCNCC1
InChIInChI=1S/C11H18F3N3O2/c1-2-5-17(8-11(12,13)14)10(19)9(18)16-6-3-15-4-7-16/h15H,2-8H2,1H3
InChIKeyUNGSURVQHAEEIZ-UHFFFAOYSA-N
XLogP0.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 55010099) is 2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)C(=O)N1CCNCC1.
What is the InChIKey of 2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UNGSURVQHAEEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-2-5-17(8-11(12,13)14)10(19)9(18)16-6-3-15-4-7-16/h15H,2-8H2,1H3.
What are the key properties of 2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-piperazin-1-yl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55010099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).