2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride

C20H23ClFN3O2S — CID 11604235

IUPAC2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(Cc2ccccc2F)CC1)NC1CC(=O)c2sccc21
InChIInChI=1S/C20H22FN3O2S.ClH/c21-16-4-2-1-3-14(16)12-23-6-8-24(9-7-23)13-19(26)22-17-11-18(25)20-15(17)5-10-27-20;/h1-5,10,17H,6-9,11-13H2,(H,22,26);1H
InChIKeySKECBWHZTRUPQR-UHFFFAOYSA-N
MW423.94 g/mol
LogP2.87
Rot. Bonds5

About 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride (PubChem CID 11604235) has the molecular formula C20H23ClFN3O2S and a molecular weight of 423.94 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride
PubChem CID11604235
Molecular FormulaC20H23ClFN3O2S
Molecular Weight423.94 g/mol
Exact Mass423.12
IUPAC Name2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(Cc2ccccc2F)CC1)NC1CC(=O)c2sccc21
InChIInChI=1S/C20H22FN3O2S.ClH/c21-16-4-2-1-3-14(16)12-23-6-8-24(9-7-23)13-19(26)22-17-11-18(25)20-15(17)5-10-27-20;/h1-5,10,17H,6-9,11-13H2,(H,22,26);1H
InChIKeySKECBWHZTRUPQR-UHFFFAOYSA-N
XLogP2.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 11583274
N-(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 11505197
N-[(4E)-1,3-dibromo-4-hydrazinylidene-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 57340819
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24566759
2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride
CID 11604990
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993712
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78788101
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 9205197
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51632378
N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 78788102

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride (CID 11604235) is 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride is Cl.O=C(CN1CCN(Cc2ccccc2F)CC1)NC1CC(=O)c2sccc21.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride?
The InChIKey is SKECBWHZTRUPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S.ClH/c21-16-4-2-1-3-14(16)12-23-6-8-24(9-7-23)13-19(26)22-17-11-18(25)20-15(17)5-10-27-20;/h1-5,10,17H,6-9,11-13H2,(H,22,26);1H.
What are the key properties of 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride?
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride has a molecular weight of 423.94 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 11604235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).