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

C13H19ClF3N3OS — CID 120811888

IUPAC4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
SMILESCc1cscc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C13H18F3N3OS.ClH/c1-9-7-21-8-10(9)12(20)18-6-11(13(14,15)16)19-4-2-17-3-5-19;/h7-8,11,17H,2-6H2,1H3,(H,18,20);1H
InChIKeyCKVYINHYVGWTHM-UHFFFAOYSA-N
MW357.83 g/mol
LogP2.04
Rot. Bonds4

About 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride

4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride (PubChem CID 120811888) has the molecular formula C13H19ClF3N3OS and a molecular weight of 357.83 g/mol. Its IUPAC name is 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
PubChem CID120811888
Molecular FormulaC13H19ClF3N3OS
Molecular Weight357.83 g/mol
Exact Mass357.09
IUPAC Name4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
SMILESCc1cscc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C13H18F3N3OS.ClH/c1-9-7-21-8-10(9)12(20)18-6-11(13(14,15)16)19-4-2-17-3-5-19;/h7-8,11,17H,2-6H2,1H3,(H,18,20);1H
InChIKeyCKVYINHYVGWTHM-UHFFFAOYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813497
2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 120813412
2-chloro-4-fluoro-5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813211
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813533
2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811797
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813828
2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 120811653
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811198
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813829
2-propan-2-ylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813410
5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120813048

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride (CID 120811888) is 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride is Cc1cscc1C(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.
What is the InChIKey of 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride?
The InChIKey is CKVYINHYVGWTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS.ClH/c1-9-7-21-8-10(9)12(20)18-6-11(13(14,15)16)19-4-2-17-3-5-19;/h7-8,11,17H,2-6H2,1H3,(H,18,20);1H.
What are the key properties of 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride?
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride has a molecular weight of 357.83 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120811888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).