1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone

C12H16BrNOS — CID 43794419

IUPAC1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1CC(=O)c1sccc1Br
InChIInChI=1S/C12H16BrNOS/c1-9-4-2-3-6-14(9)8-11(15)12-10(13)5-7-16-12/h5,7,9H,2-4,6,8H2,1H3
InChIKeyMBHOOYJWCVOGGH-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.57
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone

1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone (PubChem CID 43794419) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone
PubChem CID43794419
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1CC(=O)c1sccc1Br
InChIInChI=1S/C12H16BrNOS/c1-9-4-2-3-6-14(9)8-11(15)12-10(13)5-7-16-12/h5,7,9H,2-4,6,8H2,1H3
InChIKeyMBHOOYJWCVOGGH-UHFFFAOYSA-N
XLogP3.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-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

1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43795192
1-(3-bromothiophen-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanone
CID 62330006
1-(3-bromothiophen-2-yl)-2-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43794700
(3-bromothiophen-2-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103715039
1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228420
1-(3-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836574
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
3-[(2-methylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639879
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
4-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103244
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone (CID 43794419) is 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1CC(=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is MBHOOYJWCVOGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-9-4-2-3-6-14(9)8-11(15)12-10(13)5-7-16-12/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone?
1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 302.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43794419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).