2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one

C19H21ClN2O3S — CID 108535922

IUPAC2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H21ClN2O3S/c1-14(25-16-6-4-15(20)5-7-16)19(24)22-10-8-21(9-11-22)18(23)13-17-3-2-12-26-17/h2-7,12,14H,8-11,13H2,1H3
InChIKeyLIFJXEBGQISOFP-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.08
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one

2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one (PubChem CID 108535922) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one
PubChem CID108535922
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H21ClN2O3S/c1-14(25-16-6-4-15(20)5-7-16)19(24)22-10-8-21(9-11-22)18(23)13-17-3-2-12-26-17/h2-7,12,14H,8-11,13H2,1H3
InChIKeyLIFJXEBGQISOFP-UHFFFAOYSA-N
XLogP3.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-propan-2-ylphenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108553319
2-(4-chlorophenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 24609995
2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535954
1-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108535916
2-(4-chlorophenoxy)-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]propan-1-one
CID 55447010
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 113074569
1-[4-(2-phenylacetyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108534738
1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534693
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 108568868
2-(4-chlorophenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108554335
tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate
CID 42930469

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one (CID 108535922) is 2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one is CC(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is LIFJXEBGQISOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14(25-16-6-4-15(20)5-7-16)19(24)22-10-8-21(9-11-22)18(23)13-17-3-2-12-26-17/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one?
2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 392.91 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-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108535922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).