N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C12H19F3N4O — CID 60705231

IUPACN-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCN(CCC#N)C(=O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N4O/c1-17(4-2-3-16)11(20)9-18-5-7-19(8-6-18)10-12(13,14)15/h2,4-10H2,1H3
InChIKeyMJKWYBPMCOKPPN-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.54
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 60705231) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID60705231
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCN(CCC#N)C(=O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N4O/c1-17(4-2-3-16)11(20)9-18-5-7-19(8-6-18)10-12(13,14)15/h2,4-10H2,1H3
InChIKeyMJKWYBPMCOKPPN-UHFFFAOYSA-N
XLogP0.54
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide 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 N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 60705231) is N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is CN(CCC#N)C(=O)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is MJKWYBPMCOKPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-17(4-2-3-16)11(20)9-18-5-7-19(8-6-18)10-12(13,14)15/h2,4-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 292.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 60705231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).