2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone

C16H20Cl2N2O4 — CID 108568641

IUPAC2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCN(C(=O)C(Cl)Cl)CC1
InChIInChI=1S/C16H20Cl2N2O4/c1-2-23-12-5-3-4-6-13(12)24-11-14(21)19-7-9-20(10-8-19)16(22)15(17)18/h3-6,15H,2,7-11H2,1H3
InChIKeyRJTATWCTDIWYKO-UHFFFAOYSA-N
MW375.25 g/mol
LogP1.94
Rot. Bonds6

About 2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone

2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone (PubChem CID 108568641) has the molecular formula C16H20Cl2N2O4 and a molecular weight of 375.25 g/mol. Its IUPAC name is 2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone
PubChem CID108568641
Molecular FormulaC16H20Cl2N2O4
Molecular Weight375.25 g/mol
Exact Mass374.08
IUPAC Name2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCCOc1ccccc1OCC(=O)N1CCN(C(=O)C(Cl)Cl)CC1
InChIInChI=1S/C16H20Cl2N2O4/c1-2-23-12-5-3-4-6-13(12)24-11-14(21)19-7-9-20(10-8-19)16(22)15(17)18/h3-6,15H,2,7-11H2,1H3
InChIKeyRJTATWCTDIWYKO-UHFFFAOYSA-N
XLogP1.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-(4-chlorophenyl)-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108568635
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 55563553
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 48866992
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 106671784
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108534050
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108544654
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone (CID 108568641) is 2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone is CCOc1ccccc1OCC(=O)N1CCN(C(=O)C(Cl)Cl)CC1.
What is the InChIKey of 2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
The InChIKey is RJTATWCTDIWYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4/c1-2-23-12-5-3-4-6-13(12)24-11-14(21)19-7-9-20(10-8-19)16(22)15(17)18/h3-6,15H,2,7-11H2,1H3.
What are the key properties of 2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone has a molecular weight of 375.25 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 108568641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).