3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile

C17H16FN5O — CID 133284357

IUPAC3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C17H16FN5O/c18-14-4-2-1-3-13(14)11-16(24)22-7-9-23(10-8-22)17-15(12-19)20-5-6-21-17/h1-6H,7-11H2
InChIKeyFEDFMEOGDPSYNI-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.38
Rot. Bonds3

About 3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133284357) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133284357
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C17H16FN5O/c18-14-4-2-1-3-13(14)11-16(24)22-7-9-23(10-8-22)17-15(12-19)20-5-6-21-17/h1-6H,7-11H2
InChIKeyFEDFMEOGDPSYNI-UHFFFAOYSA-N
XLogP1.38
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile (CID 133284357) is 3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is FEDFMEOGDPSYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-14-4-2-1-3-13(14)11-16(24)22-7-9-23(10-8-22)17-15(12-19)20-5-6-21-17/h1-6H,7-11H2.
What are the key properties of 3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 325.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).