2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

C13H19ClFN3O2S — CID 110283393

IUPAC2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1NCCN(CCF)C1=O)NCc1cccs1
InChIInChI=1S/C13H18FN3O2S.ClH/c14-3-5-17-6-4-15-11(13(17)19)8-12(18)16-9-10-2-1-7-20-10;/h1-2,7,11,15H,3-6,8-9H2,(H,16,18);1H
InChIKeyXESGNXBWKAIPHL-UHFFFAOYSA-N
MW335.83 g/mol
LogP0.95
Rot. Bonds6

About 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (PubChem CID 110283393) has the molecular formula C13H19ClFN3O2S and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
PubChem CID110283393
Molecular FormulaC13H19ClFN3O2S
Molecular Weight335.83 g/mol
Exact Mass335.09
IUPAC Name2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CC1NCCN(CCF)C1=O)NCc1cccs1
InChIInChI=1S/C13H18FN3O2S.ClH/c14-3-5-17-6-4-15-11(13(17)19)8-12(18)16-9-10-2-1-7-20-10;/h1-2,7,11,15H,3-6,8-9H2,(H,16,18);1H
InChIKeyXESGNXBWKAIPHL-UHFFFAOYSA-N
XLogP0.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride
CID 110283271
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 80519770
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
2-[4-benzyl-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 68748027
2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465528
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713
2-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
CID 110283855
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 2117280

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (CID 110283393) is 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(CC1NCCN(CCF)C1=O)NCc1cccs1.
What is the InChIKey of 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is XESGNXBWKAIPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2S.ClH/c14-3-5-17-6-4-15-11(13(17)19)8-12(18)16-9-10-2-1-7-20-10;/h1-2,7,11,15H,3-6,8-9H2,(H,16,18);1H.
What are the key properties of 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 110283393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).