1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone

C12H20N4O — CID 90533655

IUPAC1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C12H20N4O/c1-11-13-3-4-15(11)8-5-14-6-9-16(10-7-14)12(2)17/h3-4H,5-10H2,1-2H3
InChIKeyLQQNONBNAQDJKB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.36
Rot. Bonds3

About 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone

1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 90533655) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID90533655
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C12H20N4O/c1-11-13-3-4-15(11)8-5-14-6-9-16(10-7-14)12(2)17/h3-4H,5-10H2,1-2H3
InChIKeyLQQNONBNAQDJKB-UHFFFAOYSA-N
XLogP0.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90533764
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 90533937
3-(benzenesulfonyl)-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90533828
1-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 90534081
(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533672
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (CID 90533655) is 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCn2ccnc2C)CC1.
What is the InChIKey of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is LQQNONBNAQDJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-11-13-3-4-15(11)8-5-14-6-9-16(10-7-14)12(2)17/h3-4H,5-10H2,1-2H3.
What are the key properties of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 236.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90533655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).