4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

C15H25BrClN3OS — CID 119394190

IUPAC4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCl.O=C(CCCc1ccc(Br)s1)NCCCN1CCNCC1
InChIInChI=1S/C15H24BrN3OS.ClH/c16-14-6-5-13(21-14)3-1-4-15(20)18-7-2-10-19-11-8-17-9-12-19;/h5-6,17H,1-4,7-12H2,(H,18,20);1H
InChIKeyTZWFUDXDHIKZMU-UHFFFAOYSA-N
MW410.81 g/mol
LogP2.67
Rot. Bonds8

About 4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride

4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (PubChem CID 119394190) has the molecular formula C15H25BrClN3OS and a molecular weight of 410.81 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
PubChem CID119394190
Molecular FormulaC15H25BrClN3OS
Molecular Weight410.81 g/mol
Exact Mass409.06
IUPAC Name4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCl.O=C(CCCc1ccc(Br)s1)NCCCN1CCNCC1
InChIInChI=1S/C15H24BrN3OS.ClH/c16-14-6-5-13(21-14)3-1-4-15(20)18-7-2-10-19-11-8-17-9-12-19;/h5-6,17H,1-4,7-12H2,(H,18,20);1H
InChIKeyTZWFUDXDHIKZMU-UHFFFAOYSA-N
XLogP2.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433779
4-(2,5-dimethylthiophen-3-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119394631
N-(3-piperazin-1-ylpropyl)-3-thiophen-3-ylpropanamide;hydrochloride
CID 119390755
4-(3,4-difluorophenyl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392670
4-(2-bromophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393381
3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223
4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119464147
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride (CID 119394190) is 4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is Cl.O=C(CCCc1ccc(Br)s1)NCCCN1CCNCC1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The InChIKey is TZWFUDXDHIKZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3OS.ClH/c16-14-6-5-13(21-14)3-1-4-15(20)18-7-2-10-19-11-8-17-9-12-19;/h5-6,17H,1-4,7-12H2,(H,18,20);1H.
What are the key properties of 4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride?
4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride has a molecular weight of 410.81 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 119394190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).