4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C8H12F3N3O2 — CID 115643195

IUPAC4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC(F)(F)F)CC1=O
InChIInChI=1S/C8H12F3N3O2/c1-13-2-3-14(4-6(13)15)7(16)12-5-8(9,10)11/h2-5H2,1H3,(H,12,16)
InChIKeyNWWNUTADPLFMKQ-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.03
Rot. Bonds1

About 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 115643195) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID115643195
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC(F)(F)F)CC1=O
InChIInChI=1S/C8H12F3N3O2/c1-13-2-3-14(4-6(13)15)7(16)12-5-8(9,10)11/h2-5H2,1H3,(H,12,16)
InChIKeyNWWNUTADPLFMKQ-UHFFFAOYSA-N
XLogP0.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 115643195) is 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CN1CCN(C(=O)NCC(F)(F)F)CC1=O.
What is the InChIKey of 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is NWWNUTADPLFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-13-2-3-14(4-6(13)15)7(16)12-5-8(9,10)11/h2-5H2,1H3,(H,12,16).
What are the key properties of 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 239.20 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 115643195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).