4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride

C16H25ClN4O5 — CID 134105342

IUPAC4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride
SMILESCOc1cc(C(=O)NNC(=O)N2CCN(C)CC2)cc(OC)c1OC.Cl
InChIInChI=1S/C16H24N4O5.ClH/c1-19-5-7-20(8-6-19)16(22)18-17-15(21)11-9-12(23-2)14(25-4)13(10-11)24-3;/h9-10H,5-8H2,1-4H3,(H,17,21)(H,18,22);1H
InChIKeyQSFWIADWXGZXMF-UHFFFAOYSA-N
MW388.85 g/mol
LogP0.74
Rot. Bonds4

About 4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride

4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride (PubChem CID 134105342) has the molecular formula C16H25ClN4O5 and a molecular weight of 388.85 g/mol. Its IUPAC name is 4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride
PubChem CID134105342
Molecular FormulaC16H25ClN4O5
Molecular Weight388.85 g/mol
Exact Mass388.15
IUPAC Name4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride
SMILESCOc1cc(C(=O)NNC(=O)N2CCN(C)CC2)cc(OC)c1OC.Cl
InChIInChI=1S/C16H24N4O5.ClH/c1-19-5-7-20(8-6-19)16(22)18-17-15(21)11-9-12(23-2)14(25-4)13(10-11)24-3;/h9-10H,5-8H2,1-4H3,(H,17,21)(H,18,22);1H
InChIKeyQSFWIADWXGZXMF-UHFFFAOYSA-N
XLogP0.74
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
3,4,5-trimethoxy-N-(4-methylpiperazin-1-ium-1-yl)benzamide chloride
CID 18531764
3,4,5-trimethoxy-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26158599
4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 122343655
2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide
CID 108984413
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide
CID 3971478
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108960828
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99702429
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride?
The IUPAC name of 4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride (CID 134105342) is 4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride.
What is the SMILES notation for 4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride?
The canonical SMILES for 4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride is COc1cc(C(=O)NNC(=O)N2CCN(C)CC2)cc(OC)c1OC.Cl.
What is the InChIKey of 4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride?
The InChIKey is QSFWIADWXGZXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5.ClH/c1-19-5-7-20(8-6-19)16(22)18-17-15(21)11-9-12(23-2)14(25-4)13(10-11)24-3;/h9-10H,5-8H2,1-4H3,(H,17,21)(H,18,22);1H.
What are the key properties of 4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride?
4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride has a molecular weight of 388.85 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride is sourced from PubChem (CID 134105342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).