2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide

C18H21FN2OS — CID 131924426

IUPAC2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(NCc1ccsc1)C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C18H21FN2OS/c19-16-6-4-15(5-7-16)17(21-9-2-1-3-10-21)18(22)20-12-14-8-11-23-13-14/h4-8,11,13,17H,1-3,9-10,12H2,(H,20,22)
InChIKeyPDBYCPGAEWTPRI-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.73
Rot. Bonds5

About 2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide

2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 131924426) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID131924426
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(NCc1ccsc1)C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C18H21FN2OS/c19-16-6-4-15(5-7-16)17(21-9-2-1-3-10-21)18(22)20-12-14-8-11-23-13-14/h4-8,11,13,17H,1-3,9-10,12H2,(H,20,22)
InChIKeyPDBYCPGAEWTPRI-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide
CID 131937524
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide
CID 91832556
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848634
(2S)-2-(4-fluorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-piperidin-1-ylacetamide
CID 124728340
2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 63244626
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
(2R)-2-(4-fluorophenyl)-2-piperidin-1-yl-N-(2-pyrazin-2-ylethyl)acetamide
CID 125166147
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 40847718
N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 130650634
1-(azepan-1-yl)-2-(thiophen-3-ylmethylamino)ethanone
CID 60975399
1-(2-piperidin-1-ylethyl)-3-(thiophen-3-ylmethyl)urea
CID 47247061
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-[(2S)-5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide
CID 42436698

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide (CID 131924426) is 2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide is O=C(NCc1ccsc1)C(c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is PDBYCPGAEWTPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c19-16-6-4-15(5-7-16)17(21-9-2-1-3-10-21)18(22)20-12-14-8-11-23-13-14/h4-8,11,13,17H,1-3,9-10,12H2,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide?
2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-piperidin-1-yl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 131924426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).