1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

C22H25ClN2O4 — CID 55491043

IUPAC1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)OCCO2)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C22H25ClN2O4/c23-18-3-1-2-4-19(18)27-12-11-24-7-9-25(10-8-24)22(26)16-17-5-6-20-21(15-17)29-14-13-28-20/h1-6,15H,7-14,16H2
InChIKeyBGXCDAZKZNLLAN-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.88
Rot. Bonds6

About 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (PubChem CID 55491043) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
PubChem CID55491043
Molecular FormulaC22H25ClN2O4
Molecular Weight416.91 g/mol
Exact Mass416.15
IUPAC Name1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)OCCO2)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C22H25ClN2O4/c23-18-3-1-2-4-19(18)27-12-11-24-7-9-25(10-8-24)22(26)16-17-5-6-20-21(15-17)29-14-13-28-20/h1-6,15H,7-14,16H2
InChIKeyBGXCDAZKZNLLAN-UHFFFAOYSA-N
XLogP2.88
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone with MolForge

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
CID 30147853
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9336093
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55830155
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 30147887
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110803856
1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 33323329
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110631942
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 119946345

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The IUPAC name of 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone (CID 55491043) is 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The canonical SMILES for 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is O=C(Cc1ccc2c(c1)OCCO2)N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
The InChIKey is BGXCDAZKZNLLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c23-18-3-1-2-4-19(18)27-12-11-24-7-9-25(10-8-24)22(26)16-17-5-6-20-21(15-17)29-14-13-28-20/h1-6,15H,7-14,16H2.
What are the key properties of 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone?
1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone has a molecular weight of 416.91 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone is sourced from PubChem (CID 55491043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).