4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid

C16H15F3N4O3 — CID 68595845

IUPAC4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nccnc2-c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)26-12-3-1-11(2-4-12)13-14(21-6-5-20-13)22-7-9-23(10-8-22)15(24)25/h1-6H,7-10H2,(H,24,25)
InChIKeySZUSYCGTLGOYJA-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.84
Rot. Bonds3

About 4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid

4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid (PubChem CID 68595845) has the molecular formula C16H15F3N4O3 and a molecular weight of 368.31 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid
PubChem CID68595845
Molecular FormulaC16H15F3N4O3
Molecular Weight368.31 g/mol
Exact Mass368.11
IUPAC Name4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nccnc2-c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H15F3N4O3/c17-16(18,19)26-12-3-1-11(2-4-12)13-14(21-6-5-20-13)22-7-9-23(10-8-22)15(24)25/h1-6H,7-10H2,(H,24,25)
InChIKeySZUSYCGTLGOYJA-UHFFFAOYSA-N
XLogP2.84
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid (CID 68595845) is 4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2nccnc2-c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid?
The InChIKey is SZUSYCGTLGOYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3/c17-16(18,19)26-12-3-1-11(2-4-12)13-14(21-6-5-20-13)22-7-9-23(10-8-22)15(24)25/h1-6H,7-10H2,(H,24,25).
What are the key properties of 4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid?
4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid has a molecular weight of 368.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68595845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).