N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide

C16H16FN3O3S — CID 44526216

IUPACN-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)c1cccs1
InChIInChI=1S/C16H16FN3O3S/c17-11-3-4-13(14(10-11)20(22)23)19-7-5-12(6-8-19)18-16(21)15-2-1-9-24-15/h1-4,9-10,12H,5-8H2,(H,18,21)
InChIKeyLSNNBCLTGSBMPI-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide

N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 44526216) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID44526216
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)c1cccs1
InChIInChI=1S/C16H16FN3O3S/c17-11-3-4-13(14(10-11)20(22)23)19-7-5-12(6-8-19)18-16(21)15-2-1-9-24-15/h1-4,9-10,12H,5-8H2,(H,18,21)
InChIKeyLSNNBCLTGSBMPI-UHFFFAOYSA-N
XLogP3.19
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methanone, [4-(2-fluoro-4-nitrophenyl)-1-piperazinyl](2-thienyl)-
CID 544906
N-(2-Fluoro-5-nitrophenyl)-2-thiophenecarboxamide
CID 573756
4-[4-Fluoro-5-(4-methylpiperidyl)-2-nitrophenyl]piperazinyl 2-thienyl ketone
CID 2881247
4-(Thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2142327
1-(5-Nitrothiophene-2-carbonyl)-4-phenylpiperazine
CID 2479394
N~2~-{2-[4-(2-Fluorophenyl)piperazino]-2-oxoethyl}-2-thiophenecarboxamide
CID 2622886
1-[4-(4-Nitrophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 2904576
[4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 2915839
N-[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-2-thiophenecarboxamide
CID 2949298
[4-[3-(Ethylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 2960766
N-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]-2-thiophenecarboxamide
CID 2966065
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide
CID 7188775

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide (CID 44526216) is N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)c1cccs1.
What is the InChIKey of N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is LSNNBCLTGSBMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c17-11-3-4-13(14(10-11)20(22)23)19-7-5-12(6-8-19)18-16(21)15-2-1-9-24-15/h1-4,9-10,12H,5-8H2,(H,18,21).
What are the key properties of N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide?
N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-nitrophenyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 44526216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).