1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

C22H27ClN2O2 — CID 175667113

IUPAC1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(C(=O)CN2CCN(c3cccc(C)c3C)CC2)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-4-27-22-9-8-18(14-19(22)23)21(26)15-24-10-12-25(13-11-24)20-7-5-6-16(2)17(20)3/h5-9,14H,4,10-13,15H2,1-3H3
InChIKeyWNZFIBLYBUAWJN-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.36
Rot. Bonds6

About 1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (PubChem CID 175667113) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
PubChem CID175667113
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(C(=O)CN2CCN(c3cccc(C)c3C)CC2)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-4-27-22-9-8-18(14-19(22)23)21(26)15-24-10-12-25(13-11-24)20-7-5-6-16(2)17(20)3/h5-9,14H,4,10-13,15H2,1-3H3
InChIKeyWNZFIBLYBUAWJN-UHFFFAOYSA-N
XLogP4.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 9154837
2-(2,4-dichlorophenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 1292697
1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 82052874
1-(3-chloro-4-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82052906
3-chloro-N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-ethoxybenzenesulfonamide
CID 43889236
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
1-[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethoxyphenyl]ethanone
CID 8582652
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469583
1-(4-ethoxy-3-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 82054227

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone (CID 175667113) is 1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is CCOc1ccc(C(=O)CN2CCN(c3cccc(C)c3C)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
The InChIKey is WNZFIBLYBUAWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-4-27-22-9-8-18(14-19(22)23)21(26)15-24-10-12-25(13-11-24)20-7-5-6-16(2)17(20)3/h5-9,14H,4,10-13,15H2,1-3H3.
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone?
1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone has a molecular weight of 386.92 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 175667113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).