[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone

C17H17F3N2O2S — CID 158152152

IUPAC[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)11-6-2-3-7-12(11)21-15-14(13(23)10-25-15)16(24)22-8-4-1-5-9-22/h2-3,6-7,23H,1,4-5,8-10H2/b21-15-
InChIKeyGPQOPOXYOGJQQI-QNGOZBTKSA-N
MW370.40 g/mol
LogP4.31
Rot. Bonds2

About [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone

[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone (PubChem CID 158152152) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone
PubChem CID158152152
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone
SMILESO=C(C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)11-6-2-3-7-12(11)21-15-14(13(23)10-25-15)16(24)22-8-4-1-5-9-22/h2-3,6-7,23H,1,4-5,8-10H2/b21-15-
InChIKeyGPQOPOXYOGJQQI-QNGOZBTKSA-N
XLogP4.31
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 68409241
N-(cyclopropylmethyl)-3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 136250314
N-cyclopropyl-3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 136250315
3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 136250319
N-cyclopropyl-3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide;ethane
CID 145580529
3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 158002779
3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 158591151
3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 159190105
2-azabicyclo[2.2.2]octan-2-yl-[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]methanone
CID 160325664
N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 160924154
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone
CID 161056523
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-pyrrolidin-1-ylmethanone
CID 162198807

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone (CID 158152152) is [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone is O=C(C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)N1CCCCC1.
What is the InChIKey of [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone?
The InChIKey is GPQOPOXYOGJQQI-QNGOZBTKSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c18-17(19,20)11-6-2-3-7-12(11)21-15-14(13(23)10-25-15)16(24)22-8-4-1-5-9-22/h2-3,6-7,23H,1,4-5,8-10H2/b21-15-.
What are the key properties of [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone?
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone has a molecular weight of 370.40 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 158152152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).