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

C13H18BrNOS — CID 43795192

IUPAC1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1sccc1Br
InChIInChI=1S/C13H18BrNOS/c1-2-10-5-3-4-7-15(10)9-12(16)13-11(14)6-8-17-13/h6,8,10H,2-5,7,9H2,1H3
InChIKeyGVSCJQPWGJVJAW-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.96
Rot. Bonds4

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

1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 43795192) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
PubChem CID43795192
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC Name1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1sccc1Br
InChIInChI=1S/C13H18BrNOS/c1-2-10-5-3-4-7-15(10)9-12(16)13-11(14)6-8-17-13/h6,8,10H,2-5,7,9H2,1H3
InChIKeyGVSCJQPWGJVJAW-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794419
(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 63086030
3-[(2-ethylazepan-1-yl)methyl]thiophene-2-carboxylic acid
CID 113441793
1-(3-bromothiophen-2-yl)-2-(2,4-dimethylpiperidin-1-yl)ethanone
CID 62330006
1-[(3-bromothiophen-2-yl)methyl]-2-ethylazepane
CID 104691377
1-(3-bromothiophen-2-yl)-2-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43794700
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
1-(3-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836574
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587
1-(3-bromo-4-methoxyphenyl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690667
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone (CID 43795192) is 1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1CC(=O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is GVSCJQPWGJVJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-2-10-5-3-4-7-15(10)9-12(16)13-11(14)6-8-17-13/h6,8,10H,2-5,7,9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 316.26 g/mol, XLogP of 3.96, 4 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-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43795192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).