4-(imidazole-1-carbonyl)piperazin-2-one

C8H10N4O2 — CID 81257588

IUPAC4-(imidazole-1-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)n2ccnc2)CCN1
InChIInChI=1S/C8H10N4O2/c13-7-5-11(4-2-10-7)8(14)12-3-1-9-6-12/h1,3,6H,2,4-5H2,(H,10,13)
InChIKeyDLAGRRGMZVUCMX-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.72
Rot. Bonds

About 4-(imidazole-1-carbonyl)piperazin-2-one

4-(imidazole-1-carbonyl)piperazin-2-one (PubChem CID 81257588) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-(imidazole-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(imidazole-1-carbonyl)piperazin-2-one
PubChem CID81257588
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name4-(imidazole-1-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)n2ccnc2)CCN1
InChIInChI=1S/C8H10N4O2/c13-7-5-11(4-2-10-7)8(14)12-3-1-9-6-12/h1,3,6H,2,4-5H2,(H,10,13)
InChIKeyDLAGRRGMZVUCMX-UHFFFAOYSA-N
XLogP-0.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazole-1-carbonyl)piperazin-2-one?
The IUPAC name of 4-(imidazole-1-carbonyl)piperazin-2-one (CID 81257588) is 4-(imidazole-1-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(imidazole-1-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(imidazole-1-carbonyl)piperazin-2-one is O=C1CN(C(=O)n2ccnc2)CCN1.
What is the InChIKey of 4-(imidazole-1-carbonyl)piperazin-2-one?
The InChIKey is DLAGRRGMZVUCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-7-5-11(4-2-10-7)8(14)12-3-1-9-6-12/h1,3,6H,2,4-5H2,(H,10,13).
What are the key properties of 4-(imidazole-1-carbonyl)piperazin-2-one?
4-(imidazole-1-carbonyl)piperazin-2-one has a molecular weight of 194.19 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazole-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 81257588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).