4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide

C20H26N4O2 — CID 18526260

IUPAC4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c21-22-20(25)18-6-8-19(9-7-18)26-15-14-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-9H,10-16,21H2,(H,22,25)
InChIKeyZDQDJHRVHLTWOB-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.49
Rot. Bonds7

About 4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide

4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide (PubChem CID 18526260) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
PubChem CID18526260
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
SMILESNNC(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c21-22-20(25)18-6-8-19(9-7-18)26-15-14-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-9H,10-16,21H2,(H,22,25)
InChIKeyZDQDJHRVHLTWOB-UHFFFAOYSA-N
XLogP1.49
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845
2-(4-benzylpiperazin-1-yl)ethyl benzoate
CID 24842101
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide
CID 63625792
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63569886
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
3-phenyl-2-[[4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoyl]amino]propanoic acid
CID 58748865

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide (CID 18526260) is 4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide is NNC(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide?
The InChIKey is ZDQDJHRVHLTWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-22-20(25)18-6-8-19(9-7-18)26-15-14-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-9H,10-16,21H2,(H,22,25).
What are the key properties of 4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide?
4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide has a molecular weight of 354.45 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 18526260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).