2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one

C18H25ClN2O5 — CID 108535954

IUPAC2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one
SMILESCOCCOCC(=O)N1CCN(C(=O)C(C)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O5/c1-14(26-16-5-3-15(19)4-6-16)18(23)21-9-7-20(8-10-21)17(22)13-25-12-11-24-2/h3-6,14H,7-13H2,1-2H3
InChIKeyRTFBWVUAOHXSLA-UHFFFAOYSA-N
MW384.86 g/mol
LogP1.44
Rot. Bonds8

About 2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one

2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 108535954) has the molecular formula C18H25ClN2O5 and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one
PubChem CID108535954
Molecular FormulaC18H25ClN2O5
Molecular Weight384.86 g/mol
Exact Mass384.15
IUPAC Name2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one
SMILESCOCCOCC(=O)N1CCN(C(=O)C(C)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O5/c1-14(26-16-5-3-15(19)4-6-16)18(23)21-9-7-20(8-10-21)17(22)13-25-12-11-24-2/h3-6,14H,7-13H2,1-2H3
InChIKeyRTFBWVUAOHXSLA-UHFFFAOYSA-N
XLogP1.44
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 53150906
1-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108535916
tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate
CID 42930469
1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534693
2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 108535922
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 4850064
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534102
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 108570061
2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 108568868
2-(4-chlorophenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108553182
1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536062

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one (CID 108535954) is 2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one is COCCOCC(=O)N1CCN(C(=O)C(C)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is RTFBWVUAOHXSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O5/c1-14(26-16-5-3-15(19)4-6-16)18(23)21-9-7-20(8-10-21)17(22)13-25-12-11-24-2/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one?
2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 384.86 g/mol, XLogP of 1.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108535954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).