2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one

C12H16BrNO2S — CID 111470100

IUPAC2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(O)CC1)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-8(10-2-3-11(13)17-10)12(16)14-6-4-9(15)5-7-14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyDCNGRQAYCSNFFB-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.60
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one

2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 111470100) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID111470100
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(O)CC1)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-8(10-2-3-11(13)17-10)12(16)14-6-4-9(15)5-7-14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyDCNGRQAYCSNFFB-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124689976
(3R)-1-[(2R)-2-(5-bromothiophen-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 129382499
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-bromothiophen-2-yl)propan-1-one;hydrochloride
CID 119663511
4-[2-(5-bromothiophen-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239784
5-bromo-N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 111561729
2-[4-[2-(5-bromothiophen-2-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210832
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391848
2-[(5-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 78793185
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119410208
2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide
CID 119388690
2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 71994874
2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471124

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 111470100) is 2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one is CC(C(=O)N1CCC(O)CC1)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is DCNGRQAYCSNFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-8(10-2-3-11(13)17-10)12(16)14-6-4-9(15)5-7-14/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 318.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 111470100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).