1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone

C12H16BrNOS — CID 107354754

IUPAC1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone
SMILESCC1CCNC(CC(=O)c2cc(Br)cs2)C1
InChIInChI=1S/C12H16BrNOS/c1-8-2-3-14-10(4-8)6-11(15)12-5-9(13)7-16-12/h5,7-8,10,14H,2-4,6H2,1H3
InChIKeyOTNKEFQCOSYBRD-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone

1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone (PubChem CID 107354754) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone
PubChem CID107354754
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone
SMILESCC1CCNC(CC(=O)c2cc(Br)cs2)C1
InChIInChI=1S/C12H16BrNOS/c1-8-2-3-14-10(4-8)6-11(15)12-5-9(13)7-16-12/h5,7-8,10,14H,2-4,6H2,1H3
InChIKeyOTNKEFQCOSYBRD-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone 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

2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 116685051
2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685103
1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone
CID 116685419
3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
CID 116685291
3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one
CID 165474384
(3-methylcyclohexyl) 4-bromothiophene-2-carboxylate;propane
CID 153338653
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
1-(4-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291002
4-methyl-N-(2,4,6-tribromophenyl)piperidine-2-carboxamide
CID 114422755
1-(4-bromothiophen-2-yl)-3-piperazin-1-ylpropan-1-one
CID 82308500
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 115160506

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone (CID 107354754) is 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone is CC1CCNC(CC(=O)c2cc(Br)cs2)C1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone?
The InChIKey is OTNKEFQCOSYBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-8-2-3-14-10(4-8)6-11(15)12-5-9(13)7-16-12/h5,7-8,10,14H,2-4,6H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone?
1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone has a molecular weight of 302.24 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-(4-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 107354754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).