N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide

C12H17BrN2OS — CID 49437929

IUPACN-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2OS/c1-9(16)14-10-4-6-15(7-5-10)8-11-2-3-12(13)17-11/h2-3,10H,4-8H2,1H3,(H,14,16)
InChIKeyOJGGCTFGMHBBLM-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.61
Rot. Bonds3

About N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide

N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 49437929) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide
PubChem CID49437929
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC NameN-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2OS/c1-9(16)14-10-4-6-15(7-5-10)8-11-2-3-12(13)17-11/h2-3,10H,4-8H2,1H3,(H,14,16)
InChIKeyOJGGCTFGMHBBLM-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 48542178
2-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79608935
1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
CID 103656926
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592209
1-[(5-bromothiophen-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 112568140
N-[(2S)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 9100133
N-[(2R)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 9100137
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703333
1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 54944633
1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine
CID 115688536
1-[(5-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219165

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide (CID 49437929) is N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is OJGGCTFGMHBBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-9(16)14-10-4-6-15(7-5-10)8-11-2-3-12(13)17-11/h2-3,10H,4-8H2,1H3,(H,14,16).
What are the key properties of N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide?
N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 317.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 49437929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).