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

C19H21ClN2O3 — CID 1153594

IUPAC2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O3/c1-24-18-5-3-2-4-17(18)21-10-12-22(13-11-21)19(23)14-25-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3
InChIKeySOXJLDCBILLMNE-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.08
Rot. Bonds5

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

2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 1153594) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID1153594
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O3/c1-24-18-5-3-2-4-17(18)21-10-12-22(13-11-21)19(23)14-25-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3
InChIKeySOXJLDCBILLMNE-UHFFFAOYSA-N
XLogP3.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 1153594) is 2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is SOXJLDCBILLMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-24-18-5-3-2-4-17(18)21-10-12-22(13-11-21)19(23)14-25-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 360.84 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1153594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).