2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide

C17H24ClN3O3 — CID 55566581

IUPAC2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C(C)Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O3/c1-3-19-16(22)12-20-7-9-21(10-8-20)17(23)13(2)24-15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,22)
InChIKeyZNVSWNDRFDTOHR-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.39
Rot. Bonds6

About 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 55566581) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID55566581
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C(C)Oc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O3/c1-3-19-16(22)12-20-7-9-21(10-8-20)17(23)13(2)24-15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,22)
InChIKeyZNVSWNDRFDTOHR-UHFFFAOYSA-N
XLogP1.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51206927
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55364379
2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
CID 112765505
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55364482
2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609
2-[4-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-1,4-diazepan-1-yl]-N-ethylacetamide
CID 52760708
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
(2R)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 7405258

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide (CID 55566581) is 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)C(C)Oc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is ZNVSWNDRFDTOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-3-19-16(22)12-20-7-9-21(10-8-20)17(23)13(2)24-15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 353.85 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 55566581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).