2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile

C12H14N4O — CID 55217288

IUPAC2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
SMILESCC1(C)C(=O)NCCN1c1ncccc1C#N
InChIInChI=1S/C12H14N4O/c1-12(2)11(17)15-6-7-16(12)10-9(8-13)4-3-5-14-10/h3-5H,6-7H2,1-2H3,(H,15,17)
InChIKeyOJWHIFMTGQSOOV-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.67
Rot. Bonds1

About 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile

2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 55217288) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID55217288
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
SMILESCC1(C)C(=O)NCCN1c1ncccc1C#N
InChIInChI=1S/C12H14N4O/c1-12(2)11(17)15-6-7-16(12)10-9(8-13)4-3-5-14-10/h3-5H,6-7H2,1-2H3,(H,15,17)
InChIKeyOJWHIFMTGQSOOV-UHFFFAOYSA-N
XLogP0.67
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile (CID 55217288) is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile is CC1(C)C(=O)NCCN1c1ncccc1C#N.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is OJWHIFMTGQSOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-12(2)11(17)15-6-7-16(12)10-9(8-13)4-3-5-14-10/h3-5H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 55217288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).