2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one

C12H20N4O — CID 61404917

IUPAC2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCCc1nccn1C(C)C(=O)N1CCNCC1
InChIInChI=1S/C12H20N4O/c1-3-11-14-6-9-16(11)10(2)12(17)15-7-4-13-5-8-15/h6,9-10,13H,3-5,7-8H2,1-2H3
InChIKeyWVYMUTAQEPLHFL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.44
Rot. Bonds3

About 2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one

2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 61404917) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID61404917
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCCc1nccn1C(C)C(=O)N1CCNCC1
InChIInChI=1S/C12H20N4O/c1-3-11-14-6-9-16(11)10(2)12(17)15-7-4-13-5-8-15/h6,9-10,13H,3-5,7-8H2,1-2H3
InChIKeyWVYMUTAQEPLHFL-UHFFFAOYSA-N
XLogP0.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one (CID 61404917) is 2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one is CCc1nccn1C(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is WVYMUTAQEPLHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-11-14-6-9-16(11)10(2)12(17)15-7-4-13-5-8-15/h6,9-10,13H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one?
2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 236.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 61404917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).