1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone

C19H24N2O2S — CID 113077635

IUPAC1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H24N2O2S/c1-15(2)23-18-8-4-3-7-17(18)20-9-11-21(12-10-20)19(22)14-16-6-5-13-24-16/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyRFRWUCKTCAGIRJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.43
Rot. Bonds5

About 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 113077635) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID113077635
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCC(C)Oc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C19H24N2O2S/c1-15(2)23-18-8-4-3-7-17(18)20-9-11-21(12-10-20)19(22)14-16-6-5-13-24-16/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyRFRWUCKTCAGIRJ-UHFFFAOYSA-N
XLogP3.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone 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

methyl 2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]benzoate
CID 113078375
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110366127
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
1-[3-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-dione
CID 10047950
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
1-[4-[2-(2-ethylphenoxy)acetyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108547283
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108546404
1-[4-(1-aminoethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119519452
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 113077635) is 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone is CC(C)Oc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is RFRWUCKTCAGIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15(2)23-18-8-4-3-7-17(18)20-9-11-21(12-10-20)19(22)14-16-6-5-13-24-16/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 344.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 113077635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).