2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide

C12H17BrN2OS — CID 119388690

IUPAC2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide
SMILESCC(C(=O)NC1CCNCC1)c1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-8(10-2-3-11(13)17-10)12(16)15-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,15,16)
InChIKeyIJJZHXMEWQKLBO-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.48
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide

2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide (PubChem CID 119388690) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide
PubChem CID119388690
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide
SMILESCC(C(=O)NC1CCNCC1)c1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c1-8(10-2-3-11(13)17-10)12(16)15-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,15,16)
InChIKeyIJJZHXMEWQKLBO-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388689
N-piperidin-4-yl-2-thiophen-2-ylpropanamide;hydrochloride
CID 119387503
2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471124
2-(5-bromothiophen-2-yl)-2-piperidin-4-ylethanol
CID 116825149
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119507663
2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 111470100
2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484349
2-(3-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389162
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
(2S)-2-(5-bromothiophen-2-yl)-N-[(3R)-3-cyanothiolan-3-yl]propanamide
CID 96560802
piperidin-4-yl 2-(5-bromothiophen-2-yl)-2-thiophen-2-ylacetate
CID 170053151
N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119385819

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide (CID 119388690) is 2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide is CC(C(=O)NC1CCNCC1)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide?
The InChIKey is IJJZHXMEWQKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-8(10-2-3-11(13)17-10)12(16)15-9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3,(H,15,16).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide?
2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide has a molecular weight of 317.25 g/mol, XLogP of 2.48, 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-piperidin-4-ylpropanamide is sourced from PubChem (CID 119388690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).