[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone

C14H11F4N3OS — CID 133370657

IUPAC[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C14H11F4N3OS/c15-9-11(10(16)13(18)19-12(9)17)20-3-5-21(6-4-20)14(22)8-2-1-7-23-8/h1-2,7H,3-6H2
InChIKeyWFZXBUCVILIMRG-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.66
Rot. Bonds2

About [4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 133370657) has the molecular formula C14H11F4N3OS and a molecular weight of 345.32 g/mol. Its IUPAC name is [4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID133370657
Molecular FormulaC14H11F4N3OS
Molecular Weight345.32 g/mol
Exact Mass345.06
IUPAC Name[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C14H11F4N3OS/c15-9-11(10(16)13(18)19-12(9)17)20-3-5-21(6-4-20)14(22)8-2-1-7-23-8/h1-2,7H,3-6H2
InChIKeyWFZXBUCVILIMRG-UHFFFAOYSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 133372675
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
3,5-difluoro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile
CID 51101924
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371366
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076911
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 133370657) is [4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of [4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WFZXBUCVILIMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3OS/c15-9-11(10(16)13(18)19-12(9)17)20-3-5-21(6-4-20)14(22)8-2-1-7-23-8/h1-2,7H,3-6H2.
What are the key properties of [4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 345.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 133370657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).