2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

C18H21ClN2O3 — CID 17249616

IUPAC2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1cc(OCC(=O)N2CCN(Cc3ccco3)CC2)ccc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-14-11-15(4-5-17(14)19)24-13-18(22)21-8-6-20(7-9-21)12-16-3-2-10-23-16/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyLLGANQQXTFTADJ-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 17249616) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID17249616
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1cc(OCC(=O)N2CCN(Cc3ccco3)CC2)ccc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-14-11-15(4-5-17(14)19)24-13-18(22)21-8-6-20(7-9-21)12-16-3-2-10-23-16/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyLLGANQQXTFTADJ-UHFFFAOYSA-N
XLogP2.96
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylphenoxy)ethanone
CID 17174686
2-(4-chloro-3-methylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706987
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240
2-(4-chloro-3-methylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958047
2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984605
2-(3-chloro-4-fluorophenoxy)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 134003303
2-(4-ethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249513
2-(4-chloro-3-methylphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 17249879
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-(4-chloro-3-methylphenoxy)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108755381
2-(4-chloro-3-methylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66262530

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (CID 17249616) is 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is Cc1cc(OCC(=O)N2CCN(Cc3ccco3)CC2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is LLGANQQXTFTADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-14-11-15(4-5-17(14)19)24-13-18(22)21-8-6-20(7-9-21)12-16-3-2-10-23-16/h2-5,10-11H,6-9,12-13H2,1H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 348.83 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17249616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).