2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate

C20H23F3N4O2 — CID 170428575

IUPAC2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate
SMILESCC(=O)OCCC1CN(Cc2ccccc2)CCN1c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C20H23F3N4O2/c1-15(28)29-10-7-17-14-26(13-16-5-3-2-4-6-16)8-9-27(17)19-12-24-18(11-25-19)20(21,22)23/h2-6,11-12,17H,7-10,13-14H2,1H3
InChIKeyPVGJKDCLJYLOFO-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.14
Rot. Bonds6

About 2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate

2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate (PubChem CID 170428575) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate
PubChem CID170428575
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate
SMILESCC(=O)OCCC1CN(Cc2ccccc2)CCN1c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C20H23F3N4O2/c1-15(28)29-10-7-17-14-26(13-16-5-3-2-4-6-16)8-9-27(17)19-12-24-18(11-25-19)20(21,22)23/h2-6,11-12,17H,7-10,13-14H2,1H3
InChIKeyPVGJKDCLJYLOFO-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate?
The IUPAC name of 2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate (CID 170428575) is 2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate.
What is the SMILES notation for 2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate?
The canonical SMILES for 2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate is CC(=O)OCCC1CN(Cc2ccccc2)CCN1c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate?
The InChIKey is PVGJKDCLJYLOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-15(28)29-10-7-17-14-26(13-16-5-3-2-4-6-16)8-9-27(17)19-12-24-18(11-25-19)20(21,22)23/h2-6,11-12,17H,7-10,13-14H2,1H3.
What are the key properties of 2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate?
2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate has a molecular weight of 408.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-benzyl-1-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-2-yl]ethyl acetate is sourced from PubChem (CID 170428575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).