3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one

C25H21NOS2 — CID 2871011

IUPAC3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one
SMILESO=C1C(c2ccccc2)C(c2cccs2)NC(c2cccs2)C1c1ccccc1
InChIInChI=1S/C25H21NOS2/c27-25-21(17-9-3-1-4-10-17)23(19-13-7-15-28-19)26-24(20-14-8-16-29-20)22(25)18-11-5-2-6-12-18/h1-16,21-24,26H
InChIKeyUCZYTGZNLXWZAW-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.33
Rot. Bonds4

About 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one

3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one (PubChem CID 2871011) has the molecular formula C25H21NOS2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one.

Molecular Properties

Compound Name3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one
PubChem CID2871011
Molecular FormulaC25H21NOS2
Molecular Weight415.58 g/mol
Exact Mass415.11
IUPAC Name3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one
SMILESO=C1C(c2ccccc2)C(c2cccs2)NC(c2cccs2)C1c1ccccc1
InChIInChI=1S/C25H21NOS2/c27-25-21(17-9-3-1-4-10-17)23(19-13-7-15-28-19)26-24(20-14-8-16-29-20)22(25)18-11-5-2-6-12-18/h1-16,21-24,26H
InChIKeyUCZYTGZNLXWZAW-UHFFFAOYSA-N
XLogP6.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one 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

(3R,4S)-1-methyl-4-phenyl-3-thiophen-2-ylazetidin-2-one
CID 122372877
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-4-one
CID 40806325
3-methyl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
CID 115282367
(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 54262037
3-hydroxy-4-thiophen-2-ylazetidin-2-one
CID 11988427
5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine
CID 76945458
(2S,3S)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylic acid
CID 82394638
CID 132581684
CID 132581684
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-thiophen-2-ylpyrrolidine-3,4-diol
CID 10514933
4-thiophen-2-yl-1,3-oxazolidine-2,5-dione
CID 13312725
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 112716942

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one?
The IUPAC name of 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one (CID 2871011) is 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one.
What is the SMILES notation for 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one?
The canonical SMILES for 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one is O=C1C(c2ccccc2)C(c2cccs2)NC(c2cccs2)C1c1ccccc1.
What is the InChIKey of 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one?
The InChIKey is UCZYTGZNLXWZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NOS2/c27-25-21(17-9-3-1-4-10-17)23(19-13-7-15-28-19)26-24(20-14-8-16-29-20)22(25)18-11-5-2-6-12-18/h1-16,21-24,26H.
What are the key properties of 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one?
3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one has a molecular weight of 415.58 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2,6-dithiophen-2-ylpiperidin-4-one is sourced from PubChem (CID 2871011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).