3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide

C15H20F3N3OS — CID 120811281

IUPAC3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1sccc1C1CC1
InChIInChI=1S/C15H20F3N3OS/c16-15(17,18)12(21-6-4-19-5-7-21)9-20-14(22)13-11(3-8-23-13)10-1-2-10/h3,8,10,12,19H,1-2,4-7,9H2,(H,20,22)
InChIKeyPIHVKSKLQKMMHC-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.19
Rot. Bonds5

About 3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide

3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 120811281) has the molecular formula C15H20F3N3OS and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID120811281
Molecular FormulaC15H20F3N3OS
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC Name3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1sccc1C1CC1
InChIInChI=1S/C15H20F3N3OS/c16-15(17,18)12(21-6-4-19-5-7-21)9-20-14(22)13-11(3-8-23-13)10-1-2-10/h3,8,10,12,19H,1-2,4-7,9H2,(H,20,22)
InChIKeyPIHVKSKLQKMMHC-UHFFFAOYSA-N
XLogP2.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 120812450
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-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813069
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813693
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813533
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120811758
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide
CID 120811457
2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811834
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide (CID 120811281) is 3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is PIHVKSKLQKMMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3OS/c16-15(17,18)12(21-6-4-19-5-7-21)9-20-14(22)13-11(3-8-23-13)10-1-2-10/h3,8,10,12,19H,1-2,4-7,9H2,(H,20,22).
What are the key properties of 3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 120811281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).