3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride

C15H24ClN3O4 — CID 18531764

IUPAC3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride
SMILESCOc1cc(C(=O)N[NH+]2CCN(C)CC2)cc(OC)c1OC.[Cl-]
InChIInChI=1S/C15H23N3O4.ClH/c1-17-5-7-18(8-6-17)16-15(19)11-9-12(20-2)14(22-4)13(10-11)21-3;/h9-10H,5-8H2,1-4H3,(H,16,19);1H
InChIKeyFTDCLQAANCABLG-UHFFFAOYSA-N
MW345.83 g/mol
LogP-3.81
Rot. Bonds5

About 3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride

3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride (PubChem CID 18531764) has the molecular formula C15H24ClN3O4 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride
PubChem CID18531764
Molecular FormulaC15H24ClN3O4
Molecular Weight345.83 g/mol
Exact Mass345.15
IUPAC Name3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride
SMILESCOc1cc(C(=O)N[NH+]2CCN(C)CC2)cc(OC)c1OC.[Cl-]
InChIInChI=1S/C15H23N3O4.ClH/c1-17-5-7-18(8-6-17)16-15(19)11-9-12(20-2)14(22-4)13(10-11)21-3;/h9-10H,5-8H2,1-4H3,(H,16,19);1H
InChIKeyFTDCLQAANCABLG-UHFFFAOYSA-N
XLogP-3.81
TPSA64.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 5-3.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride
CID 134105342
1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 3,4,5-trimethoxybenzoate chloride
CID 44661988
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
3,4,5-trimethoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 916631
methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 18958757
3,4,5-trimethoxy-N-[(5R)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]benzamide
CID 10428744
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
N-(4-ethylpiperazin-4-ium-1-carbothioyl)-3,4,5-trimethoxybenzamide
CID 7721812

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride?
The IUPAC name of 3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride (CID 18531764) is 3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride?
The canonical SMILES for 3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride is COc1cc(C(=O)N[NH+]2CCN(C)CC2)cc(OC)c1OC.[Cl-].
What is the InChIKey of 3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride?
The InChIKey is FTDCLQAANCABLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4.ClH/c1-17-5-7-18(8-6-17)16-15(19)11-9-12(20-2)14(22-4)13(10-11)21-3;/h9-10H,5-8H2,1-4H3,(H,16,19);1H.
What are the key properties of 3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride?
3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride has a molecular weight of 345.83 g/mol, XLogP of -3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride is sourced from PubChem (CID 18531764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).