2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C13H16F3N3O — CID 6468495

IUPAC2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-2-1-3-11(8-10)19-6-4-18(5-7-19)9-12(17)20/h1-3,8H,4-7,9H2,(H2,17,20)
InChIKeyVRWKGUGTZPZDQZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.31
Rot. Bonds3

About 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 6468495) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID6468495
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)10-2-1-3-11(8-10)19-6-4-18(5-7-19)9-12(17)20/h1-3,8H,4-7,9H2,(H2,17,20)
InChIKeyVRWKGUGTZPZDQZ-UHFFFAOYSA-N
XLogP1.31
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 6468495) is 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is VRWKGUGTZPZDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)10-2-1-3-11(8-10)19-6-4-18(5-7-19)9-12(17)20/h1-3,8H,4-7,9H2,(H2,17,20).
What are the key properties of 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 287.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 6468495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).