5-piperidin-1-yliminoimidazol-2-one

C8H12N4O — CID 136597701

IUPAC5-piperidin-1-yliminoimidazol-2-one
SMILESO=C1N=CC(=NN2CCCCC2)N1
InChIInChI=1S/C8H12N4O/c13-8-9-6-7(10-8)11-12-4-2-1-3-5-12/h6H,1-5H2,(H,10,11,13)
InChIKeyNACPGCRPAATMTM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.58
Rot. Bonds1

About 5-piperidin-1-yliminoimidazol-2-one

5-piperidin-1-yliminoimidazol-2-one (PubChem CID 136597701) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-piperidin-1-yliminoimidazol-2-one.

Molecular Properties

Compound Name5-piperidin-1-yliminoimidazol-2-one
PubChem CID136597701
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-piperidin-1-yliminoimidazol-2-one
SMILESO=C1N=CC(=NN2CCCCC2)N1
InChIInChI=1S/C8H12N4O/c13-8-9-6-7(10-8)11-12-4-2-1-3-5-12/h6H,1-5H2,(H,10,11,13)
InChIKeyNACPGCRPAATMTM-UHFFFAOYSA-N
XLogP0.58
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yliminoimidazol-2-one?
The IUPAC name of 5-piperidin-1-yliminoimidazol-2-one (CID 136597701) is 5-piperidin-1-yliminoimidazol-2-one.
What is the SMILES notation for 5-piperidin-1-yliminoimidazol-2-one?
The canonical SMILES for 5-piperidin-1-yliminoimidazol-2-one is O=C1N=CC(=NN2CCCCC2)N1.
What is the InChIKey of 5-piperidin-1-yliminoimidazol-2-one?
The InChIKey is NACPGCRPAATMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-8-9-6-7(10-8)11-12-4-2-1-3-5-12/h6H,1-5H2,(H,10,11,13).
What are the key properties of 5-piperidin-1-yliminoimidazol-2-one?
5-piperidin-1-yliminoimidazol-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yliminoimidazol-2-one is sourced from PubChem (CID 136597701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).