3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one

C12H20N4O — CID 55216737

IUPAC3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one
SMILESCCC1NCCN(CCn2ccnc2C)C1=O
InChIInChI=1S/C12H20N4O/c1-3-11-12(17)16(7-5-14-11)9-8-15-6-4-13-10(15)2/h4,6,11,14H,3,5,7-9H2,1-2H3
InChIKeyHQVHJWOGDXOWEP-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.40
Rot. Bonds4

About 3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one

3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one (PubChem CID 55216737) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one
PubChem CID55216737
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one
SMILESCCC1NCCN(CCn2ccnc2C)C1=O
InChIInChI=1S/C12H20N4O/c1-3-11-12(17)16(7-5-14-11)9-8-15-6-4-13-10(15)2/h4,6,11,14H,3,5,7-9H2,1-2H3
InChIKeyHQVHJWOGDXOWEP-UHFFFAOYSA-N
XLogP0.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one (CID 55216737) is 3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one is CCC1NCCN(CCn2ccnc2C)C1=O.
What is the InChIKey of 3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one?
The InChIKey is HQVHJWOGDXOWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-11-12(17)16(7-5-14-11)9-8-15-6-4-13-10(15)2/h4,6,11,14H,3,5,7-9H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one?
3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 55216737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).