6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile

C14H18N4 — CID 126828174

IUPAC6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCCCC2C2CCC2)n1
InChIInChI=1S/C14H18N4/c15-8-12-9-16-10-14(17-12)18-7-2-1-6-13(18)11-4-3-5-11/h9-11,13H,1-7H2
InChIKeyCADGQWQIVVDHHS-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.51
Rot. Bonds2

About 6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile

6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 126828174) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID126828174
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCCCC2C2CCC2)n1
InChIInChI=1S/C14H18N4/c15-8-12-9-16-10-14(17-12)18-7-2-1-6-13(18)11-4-3-5-11/h9-11,13H,1-7H2
InChIKeyCADGQWQIVVDHHS-UHFFFAOYSA-N
XLogP2.51
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile (CID 126828174) is 6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile is N#Cc1cncc(N2CCCCC2C2CCC2)n1.
What is the InChIKey of 6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is CADGQWQIVVDHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-8-12-9-16-10-14(17-12)18-7-2-1-6-13(18)11-4-3-5-11/h9-11,13H,1-7H2.
What are the key properties of 6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile?
6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylpiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 126828174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).