6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile

C14H18N4 — CID 164635980

IUPAC6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCCC[C@H]2C2CCC2)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/t13-/m0/s1
InChIKeyCADGQWQIVVDHHS-ZDUSSCGKSA-N
MW242.33 g/mol
LogP2.51
Rot. Bonds2

About 6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile

6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 164635980) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID164635980
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cncc(N2CCCC[C@H]2C2CCC2)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/t13-/m0/s1
InChIKeyCADGQWQIVVDHHS-ZDUSSCGKSA-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-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile (CID 164635980) is 6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cncc(N2CCCC[C@H]2C2CCC2)n1.
What is the InChIKey of 6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is CADGQWQIVVDHHS-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of 6-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile?
6-[(2S)-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-[(2S)-2-cyclobutylpiperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 164635980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).