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

C11H18N4O2 — CID 25284771

IUPAC2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2nccn2C)CC1
InChIInChI=1S/C11H18N4O2/c1-13-4-3-12-11(13)15-7-5-14(6-8-15)10(16)9-17-2/h3-4H,5-9H2,1-2H3
InChIKeyAVCQMHIKFBNZTM-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.28
Rot. Bonds3

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

2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 25284771) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID25284771
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2nccn2C)CC1
InChIInChI=1S/C11H18N4O2/c1-13-4-3-12-11(13)15-7-5-14(6-8-15)10(16)9-17-2/h3-4H,5-9H2,1-2H3
InChIKeyAVCQMHIKFBNZTM-UHFFFAOYSA-N
XLogP-0.28
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-imidazole-1-carbonyl)morpholine
CID 5230546
3-methyl-1-(morpholine-4-carbonyl)-1H-imidazol-3-ium iodide
CID 11220989
2-(1H-imidazol-1-yl)ethyl dimethylcarbamate
CID 852442
2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
2-(Cyclopropylmethoxy)-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 53603961
2-(Cyclopropylmethoxy)-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
CID 53604957
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 53620398
1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(methoxyacetyl)piperidine
CID 70737829
N-(2-imidazol-1-ylethyl)-3-methylmorpholine-4-carboxamide
CID 71894039
N-(2-imidazol-1-ylethyl)-2-methylmorpholine-4-carboxamide
CID 71894042
1-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 72044143

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (CID 25284771) is 2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2nccn2C)CC1.
What is the InChIKey of 2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is AVCQMHIKFBNZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-13-4-3-12-11(13)15-7-5-14(6-8-15)10(16)9-17-2/h3-4H,5-9H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 238.29 g/mol, XLogP of -0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 25284771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).