2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone

C10H16N4O — CID 24699544

IUPAC2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone
SMILESCc1nccn1CC(=O)N1CCNCC1
InChIInChI=1S/C10H16N4O/c1-9-12-4-7-14(9)8-10(15)13-5-2-11-3-6-13/h4,7,11H,2-3,5-6,8H2,1H3
InChIKeySAEMYLXVWBGVQU-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.38
Rot. Bonds2

About 2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone

2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone (PubChem CID 24699544) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone
PubChem CID24699544
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone
SMILESCc1nccn1CC(=O)N1CCNCC1
InChIInChI=1S/C10H16N4O/c1-9-12-4-7-14(9)8-10(15)13-5-2-11-3-6-13/h4,7,11H,2-3,5-6,8H2,1H3
InChIKeySAEMYLXVWBGVQU-UHFFFAOYSA-N
XLogP-0.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone (CID 24699544) is 2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone is Cc1nccn1CC(=O)N1CCNCC1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone?
The InChIKey is SAEMYLXVWBGVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-9-12-4-7-14(9)8-10(15)13-5-2-11-3-6-13/h4,7,11H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone?
2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone has a molecular weight of 208.26 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 24699544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).