2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone

C17H18FNOS — CID 71786850

IUPAC2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H18FNOS/c18-15-5-3-13(4-6-15)12-17(20)19-9-7-14(8-10-19)16-2-1-11-21-16/h1-6,11,14H,7-10,12H2
InChIKeyWYIXHQBFLZIBBB-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone

2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone (PubChem CID 71786850) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
PubChem CID71786850
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C17H18FNOS/c18-15-5-3-13(4-6-15)12-17(20)19-9-7-14(8-10-19)16-2-1-11-21-16/h1-6,11,14H,7-10,12H2
InChIKeyWYIXHQBFLZIBBB-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-[2-(4-fluorophenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 808451
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N,N-diethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2889554
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403
2,2-diphenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 1508404
N-(2-fluorobenzyl)-2-(2-thienyl)acetamide
CID 1246492
1-(2-Phenylethyl)-4-(2-thienylcarbonyl)piperazine
CID 1246520
2-(4-Fluorophenyl)-N-[1-(4-methylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 3236509

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone (CID 71786850) is 2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone is O=C(Cc1ccc(F)cc1)N1CCC(c2cccs2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The InChIKey is WYIXHQBFLZIBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c18-15-5-3-13(4-6-15)12-17(20)19-9-7-14(8-10-19)16-2-1-11-21-16/h1-6,11,14H,7-10,12H2.
What are the key properties of 2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone has a molecular weight of 303.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71786850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).