2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide

C9H16F3N3O — CID 43130674

IUPAC2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C9H16F3N3O/c1-7(15-4-2-13-3-5-15)8(16)14-6-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,16)
InChIKeyQRSWYJTWFCGAHL-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.04
Rot. Bonds3

About 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide

2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 43130674) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID43130674
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C9H16F3N3O/c1-7(15-4-2-13-3-5-15)8(16)14-6-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,16)
InChIKeyQRSWYJTWFCGAHL-UHFFFAOYSA-N
XLogP-0.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide 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 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 43130674) is 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QRSWYJTWFCGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-7(15-4-2-13-3-5-15)8(16)14-6-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,16).
What are the key properties of 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide?
2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 239.24 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 43130674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).