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

C8H14F3N3O — CID 28881169

IUPAC2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCNCC1)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)6-13-7(15)5-14-3-1-12-2-4-14/h12H,1-6H2,(H,13,15)
InChIKeyGPGICHPDJMNBMW-UHFFFAOYSA-N
MW225.21 g/mol
LogP-0.43
Rot. Bonds3

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

2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 28881169) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID28881169
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCNCC1)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)6-13-7(15)5-14-3-1-12-2-4-14/h12H,1-6H2,(H,13,15)
InChIKeyGPGICHPDJMNBMW-UHFFFAOYSA-N
XLogP-0.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 28881169) is 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCNCC1)NCC(F)(F)F.
What is the InChIKey of 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GPGICHPDJMNBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)6-13-7(15)5-14-3-1-12-2-4-14/h12H,1-6H2,(H,13,15).
What are the key properties of 2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 225.21 g/mol, XLogP of -0.43, 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)acetamide is sourced from PubChem (CID 28881169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).