1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone

C12H17BrN2OS — CID 122149198

IUPAC1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone
SMILESCC1CC(N)CCN1C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-8-6-9(14)4-5-15(8)12(16)7-10-2-3-11(13)17-10/h2-3,8-9H,4-7,14H2,1H3
InChIKeySYXIMZAWWGZUDC-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.39
Rot. Bonds2

About 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone

1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone (PubChem CID 122149198) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone
PubChem CID122149198
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone
SMILESCC1CC(N)CCN1C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-8-6-9(14)4-5-15(8)12(16)7-10-2-3-11(13)17-10/h2-3,8-9H,4-7,14H2,1H3
InChIKeySYXIMZAWWGZUDC-UHFFFAOYSA-N
XLogP2.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-ethyl-N-(1-methyl-4-piperidinyl)-2-thiophenecarboxamide
CID 1247737
5-bromo-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]thiophene-2-carboxamide
CID 90644696
3-(4-bromothiophen-2-yl)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 71932332
3-(4-Bromothiophen-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 72020997
1-(2-Methylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 2891465
N-((1-isopropylpiperidin-4-yl)methyl)-2-(thiophen-2-yl)acetamide
CID 16895437
N-(1-propylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 17250186
1-[4-[2-(5-Bromothiophen-2-yl)acetyl]piperazin-1-yl]propan-1-one
CID 72134876
N-(3-amino-4-methylpentyl)-N-methyl-2-thiophen-2-ylacetamide
CID 81484774
5-bromo-3-fluoro-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 156845258
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide
CID 49072277
2-(5-Bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone
CID 116840409

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone (CID 122149198) is 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone is CC1CC(N)CCN1C(=O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone?
The InChIKey is SYXIMZAWWGZUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-8-6-9(14)4-5-15(8)12(16)7-10-2-3-11(13)17-10/h2-3,8-9H,4-7,14H2,1H3.
What are the key properties of 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone?
1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone has a molecular weight of 317.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylpiperidin-1-yl)-2-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 122149198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).