1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

C17H15F3N2O2S — CID 18195855

IUPAC1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H15F3N2O2S/c18-11-3-4-12(15(20)14(11)19)21-16(23)10-5-7-22(8-6-10)17(24)13-2-1-9-25-13/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyJAEJPAOGMMTKST-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.66
Rot. Bonds3

About 1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide

1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide (PubChem CID 18195855) has the molecular formula C17H15F3N2O2S and a molecular weight of 368.38 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
PubChem CID18195855
Molecular FormulaC17H15F3N2O2S
Molecular Weight368.38 g/mol
Exact Mass368.08
IUPAC Name1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H15F3N2O2S/c18-11-3-4-12(15(20)14(11)19)21-16(23)10-5-7-22(8-6-10)17(24)13-2-1-9-25-13/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyJAEJPAOGMMTKST-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-thiophen-2-ylsulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 9095289
methyl 4-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754252
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
CID 113008926
N-[2-(4-methylpiperazin-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820339
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 32559552
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 39820921

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide (CID 18195855) is 1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
The InChIKey is JAEJPAOGMMTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2S/c18-11-3-4-12(15(20)14(11)19)21-16(23)10-5-7-22(8-6-10)17(24)13-2-1-9-25-13/h1-4,9-10H,5-8H2,(H,21,23).
What are the key properties of 1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide?
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 18195855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).