3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C13H20BrClN2OS — CID 119464662

IUPAC3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cc(Br)cs1)NCC1CCCNC1
InChIInChI=1S/C13H19BrN2OS.ClH/c14-11-6-12(18-9-11)3-4-13(17)16-8-10-2-1-5-15-7-10;/h6,9-10,15H,1-5,7-8H2,(H,16,17);1H
InChIKeyYWJGTUVTLKHFRE-UHFFFAOYSA-N
MW367.74 g/mol
LogP2.98
Rot. Bonds5

About 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119464662) has the molecular formula C13H20BrClN2OS and a molecular weight of 367.74 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119464662
Molecular FormulaC13H20BrClN2OS
Molecular Weight367.74 g/mol
Exact Mass366.02
IUPAC Name3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cc(Br)cs1)NCC1CCCNC1
InChIInChI=1S/C13H19BrN2OS.ClH/c14-11-6-12(18-9-11)3-4-13(17)16-8-10-2-1-5-15-7-10;/h6,9-10,15H,1-5,7-8H2,(H,16,17);1H
InChIKeyYWJGTUVTLKHFRE-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
1-(4-bromothiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564275
4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119464147
3-(2-bromo-5-chlorophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461638
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
4-(4-bromophenyl)sulfanyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119461530
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(2-piperidin-3-ylethyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119555094
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119464662) is 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is Cl.O=C(CCc1cc(Br)cs1)NCC1CCCNC1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is YWJGTUVTLKHFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS.ClH/c14-11-6-12(18-9-11)3-4-13(17)16-8-10-2-1-5-15-7-10;/h6,9-10,15H,1-5,7-8H2,(H,16,17);1H.
What are the key properties of 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 367.74 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119464662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).