[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone

C20H18FNOS — CID 67117372

IUPAC[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C20H18FNOS/c21-16-6-7-17-18(13-24-19(17)12-16)14-8-10-22(11-9-14)20(23)15-4-2-1-3-5-15/h1-7,12-14H,8-11H2
InChIKeyNBZRVGYPVOFAPE-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.06
Rot. Bonds2

About [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone

[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 67117372) has the molecular formula C20H18FNOS and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone
PubChem CID67117372
Molecular FormulaC20H18FNOS
Molecular Weight339.44 g/mol
Exact Mass339.11
IUPAC Name[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C20H18FNOS/c21-16-6-7-17-18(13-24-19(17)12-16)14-8-10-22(11-9-14)20(23)15-4-2-1-3-5-15/h1-7,12-14H,8-11H2
InChIKeyNBZRVGYPVOFAPE-UHFFFAOYSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone 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

1-benzoyl-3-[2-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 139748075
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
(2Z)-4-[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-1,4-bis(4-fluorophenyl)-2-(pyrrolidin-1-ylmethylidene)butan-1-one
CID 142647619
[3-[[1-(3-cyclopropyl-6-fluoro-1-benzothiophene-2-carbonyl)azetidin-3-yl]amino]pyrrolidin-1-yl]-phenylmethanone
CID 77260274
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone
CID 175746087
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539111
copper;methane;3-(1-methoxycarbonylpiperidin-4-yl)-6-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid;methyl 4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperidine-1-carboxylate
CID 157343130
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
CID 53149302
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 166198252
1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 158400377

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone (CID 67117372) is [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(c2csc3cc(F)ccc23)CC1.
What is the InChIKey of [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is NBZRVGYPVOFAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNOS/c21-16-6-7-17-18(13-24-19(17)12-16)14-8-10-22(11-9-14)20(23)15-4-2-1-3-5-15/h1-7,12-14H,8-11H2.
What are the key properties of [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone?
[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 339.44 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 67117372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).