4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide

C15H23ClN4O2 — CID 122080182

IUPAC4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H23ClN4O2/c1-22-14-10-13(17)12(16)9-11(14)15(21)19-3-2-6-20-7-4-18-5-8-20/h9-10,18H,2-8,17H2,1H3,(H,19,21)
InChIKeyHSPUTSLYRBVGGY-UHFFFAOYSA-N
MW326.83 g/mol
LogP0.96
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide

4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 122080182) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID122080182
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCCN1CCNCC1
InChIInChI=1S/C15H23ClN4O2/c1-22-14-10-13(17)12(16)9-11(14)15(21)19-3-2-6-20-7-4-18-5-8-20/h9-10,18H,2-8,17H2,1H3,(H,19,21)
InChIKeyHSPUTSLYRBVGGY-UHFFFAOYSA-N
XLogP0.96
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methoxybenzamide
CID 119901818
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxybenzamide
CID 119681221
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391318
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
CID 119763146
2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394311
N-[[1-(5-acetamidopentyl)pyrrolidin-3-yl]methyl]-4-amino-5-chloro-2-methoxybenzamide
CID 15840963
4-amino-5-chloro-2-methoxy-N-[[1-[3-(methylcarbamothioylamino)propyl]pyrrolidin-3-yl]methyl]benzamide
CID 54217784
N-[6-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]hexyl]-1-methylindole-3-carboxamide
CID 54404871

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide (CID 122080182) is 4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide is COc1cc(N)c(Cl)cc1C(=O)NCCCN1CCNCC1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is HSPUTSLYRBVGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-22-14-10-13(17)12(16)9-11(14)15(21)19-3-2-6-20-7-4-18-5-8-20/h9-10,18H,2-8,17H2,1H3,(H,19,21).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 326.83 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 122080182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).