4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

C15H24ClN3OS — CID 119390747

IUPAC4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCSc1ccc(C(=O)NCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C15H23N3OS.ClH/c1-20-14-5-3-13(4-6-14)15(19)17-7-2-10-18-11-8-16-9-12-18;/h3-6,16H,2,7-12H2,1H3,(H,17,19);1H
InChIKeyVWCJHCQJMKNEQM-UHFFFAOYSA-N
MW329.90 g/mol
LogP1.86
Rot. Bonds6

About 4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119390747) has the molecular formula C15H24ClN3OS and a molecular weight of 329.90 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119390747
Molecular FormulaC15H24ClN3OS
Molecular Weight329.90 g/mol
Exact Mass329.13
IUPAC Name4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCSc1ccc(C(=O)NCCCN2CCNCC2)cc1.Cl
InChIInChI=1S/C15H23N3OS.ClH/c1-20-14-5-3-13(4-6-14)15(19)17-7-2-10-18-11-8-16-9-12-18;/h3-6,16H,2,7-12H2,1H3,(H,17,19);1H
InChIKeyVWCJHCQJMKNEQM-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.90
LogP ≤ 51.86
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

4-(difluoromethylsulfanyl)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392818
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
5-methylsulfanyl-N-(3-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 119392043
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119390747) is 4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is CSc1ccc(C(=O)NCCCN2CCNCC2)cc1.Cl.
What is the InChIKey of 4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is VWCJHCQJMKNEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.ClH/c1-20-14-5-3-13(4-6-14)15(19)17-7-2-10-18-11-8-16-9-12-18;/h3-6,16H,2,7-12H2,1H3,(H,17,19);1H.
What are the key properties of 4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 329.90 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119390747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).