2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride

C9H13ClN4O — CID 68967208

IUPAC2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1cn(C2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H12N4O.ClH/c10-5-7-6-13(9(14)12-7)8-1-3-11-4-2-8;/h6,8,11H,1-4H2,(H,12,14);1H
InChIKeyUJTUCYBYKAXMMJ-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.39
Rot. Bonds1

About 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride

2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride (PubChem CID 68967208) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride
PubChem CID68967208
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1cn(C2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H12N4O.ClH/c10-5-7-6-13(9(14)12-7)8-1-3-11-4-2-8;/h6,8,11H,1-4H2,(H,12,14);1H
InChIKeyUJTUCYBYKAXMMJ-UHFFFAOYSA-N
XLogP0.39
TPSA73.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride?
The IUPAC name of 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride (CID 68967208) is 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride.
What is the SMILES notation for 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride?
The canonical SMILES for 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride is Cl.N#Cc1cn(C2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride?
The InChIKey is UJTUCYBYKAXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O.ClH/c10-5-7-6-13(9(14)12-7)8-1-3-11-4-2-8;/h6,8,11H,1-4H2,(H,12,14);1H.
What are the key properties of 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride?
2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile;hydrochloride is sourced from PubChem (CID 68967208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).