1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one

C12H16BrNOS — CID 116563615

IUPAC1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)c1sccc1Br
InChIInChI=1S/C12H16BrNOS/c13-10-6-8-16-12(10)11(15)5-4-9-3-1-2-7-14-9/h6,8-9,14H,1-5,7H2
InChIKeyUKYNSXZYGYXXJD-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.62
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one

1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one (PubChem CID 116563615) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one
PubChem CID116563615
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)c1sccc1Br
InChIInChI=1S/C12H16BrNOS/c13-10-6-8-16-12(10)11(15)5-4-9-3-1-2-7-14-9/h6,8-9,14H,1-5,7H2
InChIKeyUKYNSXZYGYXXJD-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106609503
1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563575
N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
CID 107599604
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one
CID 116563781
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
CID 116563794
3-(azepan-2-yl)propanoic acid
CID 69475849
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 107611652
3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
CID 60619670
2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
CID 62217215
1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone
CID 116555084
1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43795192

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one (CID 116563615) is 1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one is O=C(CCC1CCCCN1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is UKYNSXZYGYXXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c13-10-6-8-16-12(10)11(15)5-4-9-3-1-2-7-14-9/h6,8-9,14H,1-5,7H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one?
1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 302.24 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 116563615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).