1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile

C11H12N6O — CID 112595168

IUPAC1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CC(=O)N2CCNCC2)c1C#N
InChIInChI=1S/C11H12N6O/c12-5-9-10(6-13)17(8-15-9)7-11(18)16-3-1-14-2-4-16/h8,14H,1-4,7H2
InChIKeyCUDLEKOORQGUDU-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.94
Rot. Bonds2

About 1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile

1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595168) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile
PubChem CID112595168
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CC(=O)N2CCNCC2)c1C#N
InChIInChI=1S/C11H12N6O/c12-5-9-10(6-13)17(8-15-9)7-11(18)16-3-1-14-2-4-16/h8,14H,1-4,7H2
InChIKeyCUDLEKOORQGUDU-UHFFFAOYSA-N
XLogP-0.94
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile (CID 112595168) is 1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(CC(=O)N2CCNCC2)c1C#N.
What is the InChIKey of 1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is CUDLEKOORQGUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-5-9-10(6-13)17(8-15-9)7-11(18)16-3-1-14-2-4-16/h8,14H,1-4,7H2.
What are the key properties of 1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile?
1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 244.26 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperazin-1-ylethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).