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

C9H12N4O — CID 59856528

IUPAC2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile
SMILESN#Cc1cn(C2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H12N4O/c10-5-7-6-13(9(14)12-7)8-1-3-11-4-2-8/h6,8,11H,1-4H2,(H,12,14)
InChIKeyNEEAUOCTEQKLPK-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.03
Rot. Bonds1

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

2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile (PubChem CID 59856528) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile
PubChem CID59856528
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile
SMILESN#Cc1cn(C2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C9H12N4O/c10-5-7-6-13(9(14)12-7)8-1-3-11-4-2-8/h6,8,11H,1-4H2,(H,12,14)
InChIKeyNEEAUOCTEQKLPK-UHFFFAOYSA-N
XLogP-0.03
TPSA73.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.03
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?
The IUPAC name of 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile (CID 59856528) is 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile is N#Cc1cn(C2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile?
The InChIKey is NEEAUOCTEQKLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-5-7-6-13(9(14)12-7)8-1-3-11-4-2-8/h6,8,11H,1-4H2,(H,12,14).
What are the key properties of 2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile?
2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of -0.03, 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 is sourced from PubChem (CID 59856528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).