3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile

C12H14N4O — CID 132648111

IUPAC3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile
SMILESN#CC(C(=O)N1CCCCC1)c1cnccn1
InChIInChI=1S/C12H14N4O/c13-8-10(11-9-14-4-5-15-11)12(17)16-6-2-1-3-7-16/h4-5,9-10H,1-3,6-7H2
InChIKeyQLPCUCCNAYSEJK-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.10
Rot. Bonds2

About 3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile

3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile (PubChem CID 132648111) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile.

Molecular Properties

Compound Name3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile
PubChem CID132648111
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile
SMILESN#CC(C(=O)N1CCCCC1)c1cnccn1
InChIInChI=1S/C12H14N4O/c13-8-10(11-9-14-4-5-15-11)12(17)16-6-2-1-3-7-16/h4-5,9-10H,1-3,6-7H2
InChIKeyQLPCUCCNAYSEJK-UHFFFAOYSA-N
XLogP1.10
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile?
The IUPAC name of 3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile (CID 132648111) is 3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile.
What is the SMILES notation for 3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile?
The canonical SMILES for 3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile is N#CC(C(=O)N1CCCCC1)c1cnccn1.
What is the InChIKey of 3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile?
The InChIKey is QLPCUCCNAYSEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-8-10(11-9-14-4-5-15-11)12(17)16-6-2-1-3-7-16/h4-5,9-10H,1-3,6-7H2.
What are the key properties of 3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile?
3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile has a molecular weight of 230.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-piperidin-1-yl-2-pyrazin-2-ylpropanenitrile is sourced from PubChem (CID 132648111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).