2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

C20H23ClN2O3 — CID 55361413

IUPAC2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H23ClN2O3/c21-18-8-4-5-9-19(18)26-16-20(24)23-12-10-22(11-13-23)14-15-25-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyIDKFGBYUBFAQJB-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.94
Rot. Bonds7

About 2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (PubChem CID 55361413) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
PubChem CID55361413
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H23ClN2O3/c21-18-8-4-5-9-19(18)26-16-20(24)23-12-10-22(11-13-23)14-15-25-17-6-2-1-3-7-17/h1-9H,10-16H2
InChIKeyIDKFGBYUBFAQJB-UHFFFAOYSA-N
XLogP2.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzamide
CID 38858953
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
5-bromo-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]benzaldehyde
CID 38900645
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55830155

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (CID 55361413) is 2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1Cl)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is IDKFGBYUBFAQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c21-18-8-4-5-9-19(18)26-16-20(24)23-12-10-22(11-13-23)14-15-25-17-6-2-1-3-7-17/h1-9H,10-16H2.
What are the key properties of 2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 374.87 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55361413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).