1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione

C10H13N3O2 — CID 24826317

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCc1cnc[nH]1
InChIInChI=1S/C10H13N3O2/c14-9-2-1-3-10(15)13(9)5-4-8-6-11-7-12-8/h6-7H,1-5H2,(H,11,12)
InChIKeyDYKZYSKWOHKZMF-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.49
Rot. Bonds3

About 1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione

1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione (PubChem CID 24826317) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione
PubChem CID24826317
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCc1cnc[nH]1
InChIInChI=1S/C10H13N3O2/c14-9-2-1-3-10(15)13(9)5-4-8-6-11-7-12-8/h6-7H,1-5H2,(H,11,12)
InChIKeyDYKZYSKWOHKZMF-UHFFFAOYSA-N
XLogP0.49
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione (CID 24826317) is 1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCc1cnc[nH]1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione?
The InChIKey is DYKZYSKWOHKZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9-2-1-3-10(15)13(9)5-4-8-6-11-7-12-8/h6-7H,1-5H2,(H,11,12).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione?
1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione has a molecular weight of 207.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 24826317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).