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

C9H12N4O — CID 91425702

IUPAC2-oxo-3-piperidin-4-yl-1H-imidazole-4-carbonitrile
SMILESN#Cc1c[nH]c(=O)n1C1CCNCC1
InChIInChI=1S/C9H12N4O/c10-5-8-6-12-9(14)13(8)7-1-3-11-4-2-7/h6-7,11H,1-4H2,(H,12,14)
InChIKeyKKRDSFUZYVXBLC-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.03
Rot. Bonds1

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

2-oxo-3-piperidin-4-yl-1H-imidazole-4-carbonitrile (PubChem CID 91425702) 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-4-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-piperidin-4-yl-1H-imidazole-4-carbonitrile
PubChem CID91425702
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-oxo-3-piperidin-4-yl-1H-imidazole-4-carbonitrile
SMILESN#Cc1c[nH]c(=O)n1C1CCNCC1
InChIInChI=1S/C9H12N4O/c10-5-8-6-12-9(14)13(8)7-1-3-11-4-2-7/h6-7,11H,1-4H2,(H,12,14)
InChIKeyKKRDSFUZYVXBLC-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-4-carbonitrile?
The IUPAC name of 2-oxo-3-piperidin-4-yl-1H-imidazole-4-carbonitrile (CID 91425702) is 2-oxo-3-piperidin-4-yl-1H-imidazole-4-carbonitrile.
What is the SMILES notation for 2-oxo-3-piperidin-4-yl-1H-imidazole-4-carbonitrile?
The canonical SMILES for 2-oxo-3-piperidin-4-yl-1H-imidazole-4-carbonitrile is N#Cc1c[nH]c(=O)n1C1CCNCC1.
What is the InChIKey of 2-oxo-3-piperidin-4-yl-1H-imidazole-4-carbonitrile?
The InChIKey is KKRDSFUZYVXBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-5-8-6-12-9(14)13(8)7-1-3-11-4-2-7/h6-7,11H,1-4H2,(H,12,14).
What are the key properties of 2-oxo-3-piperidin-4-yl-1H-imidazole-4-carbonitrile?
2-oxo-3-piperidin-4-yl-1H-imidazole-4-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-4-carbonitrile is sourced from PubChem (CID 91425702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).