2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide

C12H17BrN2OS — CID 120575828

IUPAC2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
SMILESCC1NCCCC1NC(=O)Cc1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-8-10(3-2-6-14-8)15-12(16)7-9-4-5-11(13)17-9/h4-5,8,10,14H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyBYCLFSYXGWITGJ-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.31
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide

2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide (PubChem CID 120575828) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
PubChem CID120575828
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
SMILESCC1NCCCC1NC(=O)Cc1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-8-10(3-2-6-14-8)15-12(16)7-9-4-5-11(13)17-9/h4-5,8,10,14H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyBYCLFSYXGWITGJ-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 120574973
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576515
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120576514
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570
2-(2,4-difluorophenyl)-N-[(2R,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517357
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
CID 124517360
2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517154
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573758
2-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573566
3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120573590

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide (CID 120575828) is 2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide is CC1NCCCC1NC(=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide?
The InChIKey is BYCLFSYXGWITGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-8-10(3-2-6-14-8)15-12(16)7-9-4-5-11(13)17-9/h4-5,8,10,14H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide?
2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide has a molecular weight of 317.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 120575828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).