1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone

C17H25ClN2O2 — CID 93192409

IUPAC1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)c2cc(Cl)ccc2OC(C)C)CC1
InChIInChI=1S/C17H25ClN2O2/c1-4-19-7-9-20(10-8-19)12-16(21)15-11-14(18)5-6-17(15)22-13(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKeyMRUSDVOKUGLABP-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.95
Rot. Bonds6

About 1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone

1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 93192409) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
PubChem CID93192409
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)c2cc(Cl)ccc2OC(C)C)CC1
InChIInChI=1S/C17H25ClN2O2/c1-4-19-7-9-20(10-8-19)12-16(21)15-11-14(18)5-6-17(15)22-13(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKeyMRUSDVOKUGLABP-UHFFFAOYSA-N
XLogP2.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215
2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone
CID 93192786
1-(5-chloro-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051125
(5-chloro-2-propan-2-yloxyphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779930
1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126
methyl 4-(5-chloro-2-propan-2-yloxyphenyl)-4-oxobutanoate
CID 82550072
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584
(5-chloro-2-propan-2-yloxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644440
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
[4-chloro-2-[2-chloro-4,5-bis[(4-ethylpiperazine-1-carbonyl)oxy]benzoyl]phenyl] 4-ethylpiperazine-1-carboxylate
CID 141454355
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone (CID 93192409) is 1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(CC(=O)c2cc(Cl)ccc2OC(C)C)CC1.
What is the InChIKey of 1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is MRUSDVOKUGLABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-4-19-7-9-20(10-8-19)12-16(21)15-11-14(18)5-6-17(15)22-13(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3.
What are the key properties of 1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone?
1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 324.85 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 93192409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).