1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride

C18H25ClN4O2 — CID 45284215

IUPAC1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)C(C)Oc2ccccc2)CC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-3-20-10-9-19-18(20)22-13-11-21(12-14-22)17(23)15(2)24-16-7-5-4-6-8-16;/h4-10,15H,3,11-14H2,1-2H3;1H
InChIKeyFKEGYBYETHWARF-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.44
Rot. Bonds5

About 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride

1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride (PubChem CID 45284215) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
PubChem CID45284215
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)C(C)Oc2ccccc2)CC1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-3-20-10-9-19-18(20)22-13-11-21(12-14-22)17(23)15(2)24-16-7-5-4-6-8-16;/h4-10,15H,3,11-14H2,1-2H3;1H
InChIKeyFKEGYBYETHWARF-UHFFFAOYSA-N
XLogP2.44
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 45284224
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one
CID 42111025
2-(4-phenylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 17249391
(2R)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95380224
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 16822756
2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 71799914
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 18161263
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 70703060
(2S)-2-(4-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42562844

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride (CID 45284215) is 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride is CCn1ccnc1N1CCN(C(=O)C(C)Oc2ccccc2)CC1.Cl.
What is the InChIKey of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride?
The InChIKey is FKEGYBYETHWARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-3-20-10-9-19-18(20)22-13-11-21(12-14-22)17(23)15(2)24-16-7-5-4-6-8-16;/h4-10,15H,3,11-14H2,1-2H3;1H.
What are the key properties of 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride?
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride is sourced from PubChem (CID 45284215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).