3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride

C14H21ClF3N3OS — CID 120812450

IUPAC3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
SMILESCCc1ccsc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C14H20F3N3OS.ClH/c1-2-10-3-8-22-12(10)13(21)19-9-11(14(15,16)17)20-6-4-18-5-7-20;/h3,8,11,18H,2,4-7,9H2,1H3,(H,19,21);1H
InChIKeyICESLLDMAMJUCK-UHFFFAOYSA-N
MW371.86 g/mol
LogP2.30
Rot. Bonds5

About 3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride

3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 120812450) has the molecular formula C14H21ClF3N3OS and a molecular weight of 371.86 g/mol. Its IUPAC name is 3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
PubChem CID120812450
Molecular FormulaC14H21ClF3N3OS
Molecular Weight371.86 g/mol
Exact Mass371.10
IUPAC Name3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
SMILESCCc1ccsc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C14H20F3N3OS.ClH/c1-2-10-3-8-22-12(10)13(21)19-9-11(14(15,16)17)20-6-4-18-5-7-20;/h3,8,11,18H,2,4-7,9H2,1H3,(H,19,21);1H
InChIKeyICESLLDMAMJUCK-UHFFFAOYSA-N
XLogP2.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813763
3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120811919
3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120811281
3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813069
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813533
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813693
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120810936
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
2-(5-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812458
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride (CID 120812450) is 3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride is CCc1ccsc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.
What is the InChIKey of 3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is ICESLLDMAMJUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3OS.ClH/c1-2-10-3-8-22-12(10)13(21)19-9-11(14(15,16)17)20-6-4-18-5-7-20;/h3,8,11,18H,2,4-7,9H2,1H3,(H,19,21);1H.
What are the key properties of 3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride?
3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 371.86 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120812450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).