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

C15H23ClN4O4 — CID 119394311

IUPAC2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C15H22N4O4.ClH/c1-23-14-4-3-12(19(21)22)11-13(14)15(20)17-5-2-8-18-9-6-16-7-10-18;/h3-4,11,16H,2,5-10H2,1H3,(H,17,20);1H
InChIKeyXYNBKAQCHFHBSA-UHFFFAOYSA-N
MW358.83 g/mol
LogP1.05
Rot. Bonds7

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

2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119394311) has the molecular formula C15H23ClN4O4 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119394311
Molecular FormulaC15H23ClN4O4
Molecular Weight358.83 g/mol
Exact Mass358.14
IUPAC Name2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C15H22N4O4.ClH/c1-23-14-4-3-12(19(21)22)11-13(14)15(20)17-5-2-8-18-9-6-16-7-10-18;/h3-4,11,16H,2,5-10H2,1H3,(H,17,20);1H
InChIKeyXYNBKAQCHFHBSA-UHFFFAOYSA-N
XLogP1.05
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392673
2-methoxy-5-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413812
2-methoxy-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-nitrobenzamide
CID 9473476
2-fluoro-5-nitro-N-(2-piperazin-1-ylethyl)benzamide
CID 43808795
2-methyl-3-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119391123
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119391354
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 122080182
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390862

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119394311) is 2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is COc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCNCC1.Cl.
What is the InChIKey of 2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is XYNBKAQCHFHBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4.ClH/c1-23-14-4-3-12(19(21)22)11-13(14)15(20)17-5-2-8-18-9-6-16-7-10-18;/h3-4,11,16H,2,5-10H2,1H3,(H,17,20);1H.
What are the key properties of 2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 358.83 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119394311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).