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

C10H15F3N4O — CID 55202146

IUPAC2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#CCN1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)8-15-9(18)7-17-5-3-16(2-1-14)4-6-17/h2-8H2,(H,15,18)
InChIKeyZDEASCGDFMMVKB-UHFFFAOYSA-N
MW264.25 g/mol
LogP-0.19
Rot. Bonds4

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

2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55202146) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55202146
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESN#CCN1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N4O/c11-10(12,13)8-15-9(18)7-17-5-3-16(2-1-14)4-6-17/h2-8H2,(H,15,18)
InChIKeyZDEASCGDFMMVKB-UHFFFAOYSA-N
XLogP-0.19
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 55202146) is 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is N#CCN1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZDEASCGDFMMVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c11-10(12,13)8-15-9(18)7-17-5-3-16(2-1-14)4-6-17/h2-8H2,(H,15,18).
What are the key properties of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 264.25 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55202146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).