1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone

C11H18N4O — CID 110849987

IUPAC1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
SMILESCCN1CCN(C(=O)Cn2ccnc2)CC1
InChIInChI=1S/C11H18N4O/c1-2-13-5-7-15(8-6-13)11(16)9-14-4-3-12-10-14/h3-4,10H,2,5-9H2,1H3
InChIKeyOTULRGWDGVLKPZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.05
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone

1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone (PubChem CID 110849987) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
PubChem CID110849987
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
SMILESCCN1CCN(C(=O)Cn2ccnc2)CC1
InChIInChI=1S/C11H18N4O/c1-2-13-5-7-15(8-6-13)11(16)9-14-4-3-12-10-14/h3-4,10H,2,5-9H2,1H3
InChIKeyOTULRGWDGVLKPZ-UHFFFAOYSA-N
XLogP0.05
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 90533365
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110854224
(6S)-1-acetyl-4-(2-imidazol-1-ylacetyl)-1,4-diazepane-6-carboxamide
CID 125003753
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 71788571
N-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46968479
2-[4-(3-imidazol-1-ylpropanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62822851
ethyl 2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]acetate
CID 90533491
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55719379
1-(3-ethenylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 144507524

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone (CID 110849987) is 1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone is CCN1CCN(C(=O)Cn2ccnc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone?
The InChIKey is OTULRGWDGVLKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-13-5-7-15(8-6-13)11(16)9-14-4-3-12-10-14/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone?
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone has a molecular weight of 222.29 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 110849987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).