N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide

C20H25N4O3+ — CID 8592125

IUPACN'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
SMILESCOc1cccc(N2CC[NH+](CC(=O)NNC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-27-18-9-5-8-17(14-18)24-12-10-23(11-13-24)15-19(25)21-22-20(26)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,21,25)(H,22,26)/p+1
InChIKeyYFYYPGGPNUSEKZ-UHFFFAOYSA-O
MW369.45 g/mol
LogP-0.14
Rot. Bonds5

About N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide

N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide (PubChem CID 8592125) has the molecular formula C20H25N4O3+ and a molecular weight of 369.45 g/mol. Its IUPAC name is N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
PubChem CID8592125
Molecular FormulaC20H25N4O3+
Molecular Weight369.45 g/mol
Exact Mass369.19
IUPAC NameN'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
SMILESCOc1cccc(N2CC[NH+](CC(=O)NNC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-27-18-9-5-8-17(14-18)24-12-10-23(11-13-24)15-19(25)21-22-20(26)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,21,25)(H,22,26)/p+1
InChIKeyYFYYPGGPNUSEKZ-UHFFFAOYSA-O
XLogP-0.14
TPSA75.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 2698419
N'-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
CID 8703830
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8592436
N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2698435
N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592404
N-(2-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592588
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592506
N-(3-cyanothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592614
N-(4-chloro-2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592500
N-(4-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592568
3-methyl-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]benzohydrazide
CID 7891809
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 8592298

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide (CID 8592125) is N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide is COc1cccc(N2CC[NH+](CC(=O)NNC(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide?
The InChIKey is YFYYPGGPNUSEKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-9-5-8-17(14-18)24-12-10-23(11-13-24)15-19(25)21-22-20(26)16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,21,25)(H,22,26)/p+1.
What are the key properties of N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide?
N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide has a molecular weight of 369.45 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 8592125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).