1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione

C11H15N3O2 — CID 86301130

IUPAC1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione
SMILESCn1cnc(CCN2C(=O)CCCC2=O)c1
InChIInChI=1S/C11H15N3O2/c1-13-7-9(12-8-13)5-6-14-10(15)3-2-4-11(14)16/h7-8H,2-6H2,1H3
InChIKeyWNDZZESQSUWCAI-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.50
Rot. Bonds3

About 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione

1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione (PubChem CID 86301130) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione
PubChem CID86301130
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione
SMILESCn1cnc(CCN2C(=O)CCCC2=O)c1
InChIInChI=1S/C11H15N3O2/c1-13-7-9(12-8-13)5-6-14-10(15)3-2-4-11(14)16/h7-8H,2-6H2,1H3
InChIKeyWNDZZESQSUWCAI-UHFFFAOYSA-N
XLogP0.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione (CID 86301130) is 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione is Cn1cnc(CCN2C(=O)CCCC2=O)c1.
What is the InChIKey of 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione?
The InChIKey is WNDZZESQSUWCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-7-9(12-8-13)5-6-14-10(15)3-2-4-11(14)16/h7-8H,2-6H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione?
1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione has a molecular weight of 221.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 86301130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).