[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone

C16H17FN2OS — CID 24791859

IUPAC[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC(Nc2cccc(F)c2)C1
InChIInChI=1S/C16H17FN2OS/c17-13-3-1-4-14(9-13)18-15-5-2-7-19(10-15)16(20)12-6-8-21-11-12/h1,3-4,6,8-9,11,15,18H,2,5,7,10H2
InChIKeyLUYFTWJOMZPEML-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.60
Rot. Bonds3

About [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone

[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 24791859) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID24791859
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC(Nc2cccc(F)c2)C1
InChIInChI=1S/C16H17FN2OS/c17-13-3-1-4-14(9-13)18-15-5-2-7-19(10-15)16(20)12-6-8-21-11-12/h1,3-4,6,8-9,11,15,18H,2,5,7,10H2
InChIKeyLUYFTWJOMZPEML-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95717763
[(3S)-3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 95094588
[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 26392166
[3-(3-fluoroanilino)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56915294
[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 95725177
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 26321736
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 25447576
1-[3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45222417
2-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95728663

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone (CID 24791859) is [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCC(Nc2cccc(F)c2)C1.
What is the InChIKey of [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is LUYFTWJOMZPEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c17-13-3-1-4-14(9-13)18-15-5-2-7-19(10-15)16(20)12-6-8-21-11-12/h1,3-4,6,8-9,11,15,18H,2,5,7,10H2.
What are the key properties of [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone?
[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 24791859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).