3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide

C24H30N4O7 — CID 3971478

IUPAC3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COCC(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H30N4O7/c1-32-19-13-17(14-20(33-2)23(19)34-3)24(31)26-25-21(29)15-35-16-22(30)28-11-9-27(10-12-28)18-7-5-4-6-8-18/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyVZBDBACWRWVIQJ-UHFFFAOYSA-N
MW486.53 g/mol
LogP0.84
Rot. Bonds9

About 3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide

3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide (PubChem CID 3971478) has the molecular formula C24H30N4O7 and a molecular weight of 486.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide
PubChem CID3971478
Molecular FormulaC24H30N4O7
Molecular Weight486.53 g/mol
Exact Mass486.21
IUPAC Name3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)COCC(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H30N4O7/c1-32-19-13-17(14-20(33-2)23(19)34-3)24(31)26-25-21(29)15-35-16-22(30)28-11-9-27(10-12-28)18-7-5-4-6-8-18/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyVZBDBACWRWVIQJ-UHFFFAOYSA-N
XLogP0.84
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide
CID 3955628
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7648176
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46601420
N,N-dimethyl-2-[2-oxo-2-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]ethoxy]acetamide
CID 3971396
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 29354060
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
3,4,5-trimethoxy-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545207
4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride
CID 134105342
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2653964

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide (CID 3971478) is 3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide is COc1cc(C(=O)NNC(=O)COCC(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide?
The InChIKey is VZBDBACWRWVIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O7/c1-32-19-13-17(14-20(33-2)23(19)34-3)24(31)26-25-21(29)15-35-16-22(30)28-11-9-27(10-12-28)18-7-5-4-6-8-18/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,25,29)(H,26,31).
What are the key properties of 3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide?
3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide has a molecular weight of 486.53 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide is sourced from PubChem (CID 3971478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).