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

Analyze 2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).