2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

C15H23BrClN3O2 — CID 119390862

IUPAC2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOc1ccc(Br)c(C(=O)NCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C15H22BrN3O2.ClH/c1-21-12-3-4-14(16)13(11-12)15(20)18-5-2-8-19-9-6-17-7-10-19;/h3-4,11,17H,2,5-10H2,1H3,(H,18,20);1H
InChIKeyYTXUSMRQRVHWBJ-UHFFFAOYSA-N
MW392.73 g/mol
LogP1.90
Rot. Bonds6

About 2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119390862) has the molecular formula C15H23BrClN3O2 and a molecular weight of 392.73 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119390862
Molecular FormulaC15H23BrClN3O2
Molecular Weight392.73 g/mol
Exact Mass391.07
IUPAC Name2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOc1ccc(Br)c(C(=O)NCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C15H22BrN3O2.ClH/c1-21-12-3-4-14(16)13(11-12)15(20)18-5-2-8-19-9-6-17-7-10-19;/h3-4,11,17H,2,5-10H2,1H3,(H,18,20);1H
InChIKeyYTXUSMRQRVHWBJ-UHFFFAOYSA-N
XLogP1.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.73
LogP ≤ 51.90
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

2-bromo-5-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539971
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994618
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119392997
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966428
2-bromo-5-methoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966429
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119390862) is 2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is COc1ccc(Br)c(C(=O)NCCCN2CCNCC2)c1.Cl.
What is the InChIKey of 2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is YTXUSMRQRVHWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2.ClH/c1-21-12-3-4-14(16)13(11-12)15(20)18-5-2-8-19-9-6-17-7-10-19;/h3-4,11,17H,2,5-10H2,1H3,(H,18,20);1H.
What are the key properties of 2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 392.73 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119390862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).