2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

C12H14F3N3O2 — CID 118607447

IUPAC2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)20-10-4-2-1-3-8(10)9-7-17-5-6-18(9)11(16)19/h1-4,9,17H,5-7H2,(H2,16,19)
InChIKeyZAGHJRGJTYXRIO-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.61
Rot. Bonds2

About 2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 118607447) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID118607447
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)20-10-4-2-1-3-8(10)9-7-17-5-6-18(9)11(16)19/h1-4,9,17H,5-7H2,(H2,16,19)
InChIKeyZAGHJRGJTYXRIO-UHFFFAOYSA-N
XLogP1.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (CID 118607447) is 2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is NC(=O)N1CCNCC1c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is ZAGHJRGJTYXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)20-10-4-2-1-3-8(10)9-7-17-5-6-18(9)11(16)19/h1-4,9,17H,5-7H2,(H2,16,19).
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 118607447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).