5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile

C18H20N4 — CID 133485048

IUPAC5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCCC1CN(c2cnc(C#N)cn2)CCC1c1ccccc1
InChIInChI=1S/C18H20N4/c1-2-14-13-22(18-12-20-16(10-19)11-21-18)9-8-17(14)15-6-4-3-5-7-15/h3-7,11-12,14,17H,2,8-9,13H2,1H3
InChIKeyMAVVODFXEVCYBK-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.37
Rot. Bonds3

About 5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile

5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 133485048) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID133485048
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESCCC1CN(c2cnc(C#N)cn2)CCC1c1ccccc1
InChIInChI=1S/C18H20N4/c1-2-14-13-22(18-12-20-16(10-19)11-21-18)9-8-17(14)15-6-4-3-5-7-15/h3-7,11-12,14,17H,2,8-9,13H2,1H3
InChIKeyMAVVODFXEVCYBK-UHFFFAOYSA-N
XLogP3.37
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile (CID 133485048) is 5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile is CCC1CN(c2cnc(C#N)cn2)CCC1c1ccccc1.
What is the InChIKey of 5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is MAVVODFXEVCYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-14-13-22(18-12-20-16(10-19)11-21-18)9-8-17(14)15-6-4-3-5-7-15/h3-7,11-12,14,17H,2,8-9,13H2,1H3.
What are the key properties of 5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile?
5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 292.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-phenylpiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 133485048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).