3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile

C12H14N4O — CID 114287581

IUPAC3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile
SMILESCCC1C(=O)NCCN1c1cnccc1C#N
InChIInChI=1S/C12H14N4O/c1-2-10-12(17)15-5-6-16(10)11-8-14-4-3-9(11)7-13/h3-4,8,10H,2,5-6H2,1H3,(H,15,17)
InChIKeyXYZJXGJOKXIQQV-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.67
Rot. Bonds2

About 3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile

3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile (PubChem CID 114287581) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile
PubChem CID114287581
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile
SMILESCCC1C(=O)NCCN1c1cnccc1C#N
InChIInChI=1S/C12H14N4O/c1-2-10-12(17)15-5-6-16(10)11-8-14-4-3-9(11)7-13/h3-4,8,10H,2,5-6H2,1H3,(H,15,17)
InChIKeyXYZJXGJOKXIQQV-UHFFFAOYSA-N
XLogP0.67
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)-4-methylbenzonitrile
CID 63601066
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile
CID 102780843
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one
CID 55216726
2-(2-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 55217483
4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
1-(4-cyano-3-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742757
4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83098897
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
4-[[3-(2-oxoimidazolidin-1-yl)azetidin-1-yl]methyl]pyridine-3-carbonitrile
CID 167930554
4-(4-amino-2-chlorophenyl)-3-ethylpiperazin-2-one
CID 55227245
2-(2-ethyl-3-oxopiperazin-1-yl)-5-fluorobenzaldehyde
CID 55217306

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile (CID 114287581) is 3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile is CCC1C(=O)NCCN1c1cnccc1C#N.
What is the InChIKey of 3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile?
The InChIKey is XYZJXGJOKXIQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-10-12(17)15-5-6-16(10)11-8-14-4-3-9(11)7-13/h3-4,8,10H,2,5-6H2,1H3,(H,15,17).
What are the key properties of 3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile?
3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3-oxopiperazin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 114287581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).