4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide

C21H26N4O2 — CID 134584177

IUPAC4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccc(CC2CN(C3COC3)CCN2c2ccccc2)cc1
InChIInChI=1S/C21H26N4O2/c22-23-21(26)17-8-6-16(7-9-17)12-19-13-24(20-14-27-15-20)10-11-25(19)18-4-2-1-3-5-18/h1-9,19-20H,10-15,22H2,(H,23,26)
InChIKeyGFLZTKPMSRQYOJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.42
Rot. Bonds5

About 4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide

4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide (PubChem CID 134584177) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide
PubChem CID134584177
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide
SMILESNNC(=O)c1ccc(CC2CN(C3COC3)CCN2c2ccccc2)cc1
InChIInChI=1S/C21H26N4O2/c22-23-21(26)17-8-6-16(7-9-17)12-19-13-24(20-14-27-15-20)10-11-25(19)18-4-2-1-3-5-18/h1-9,19-20H,10-15,22H2,(H,23,26)
InChIKeyGFLZTKPMSRQYOJ-UHFFFAOYSA-N
XLogP1.42
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.42
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-[[1-(3-methoxyphenyl)-4-(oxetan-3-yl)piperazin-2-yl]methyl]benzohydrazide
CID 134584596
benzyl 2-benzyl-4-(oxetan-3-yl)piperazine-1-carboxylate
CID 170567015
3-fluoro-4-[(4-methyl-1-phenylpiperazin-2-yl)methyl]benzohydrazide
CID 134583968
4-[[4-[3-(trifluoromethyl)phenyl]thiomorpholin-3-yl]methyl]benzohydrazide
CID 151988589
2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584705
4-[(4-methylmorpholin-2-yl)methyl]benzohydrazide
CID 174900728
2-benzyl-1-phenylazetidine
CID 163998842
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 90567032
2-benzyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 174900492
2-(3-chlorophenyl)-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 134584055
(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
CID 97040924

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide?
The IUPAC name of 4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide (CID 134584177) is 4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide.
What is the SMILES notation for 4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide?
The canonical SMILES for 4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide is NNC(=O)c1ccc(CC2CN(C3COC3)CCN2c2ccccc2)cc1.
What is the InChIKey of 4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide?
The InChIKey is GFLZTKPMSRQYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-23-21(26)17-8-6-16(7-9-17)12-19-13-24(20-14-27-15-20)10-11-25(19)18-4-2-1-3-5-18/h1-9,19-20H,10-15,22H2,(H,23,26).
What are the key properties of 4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide?
4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide has a molecular weight of 366.46 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(oxetan-3-yl)-1-phenylpiperazin-2-yl]methyl]benzohydrazide is sourced from PubChem (CID 134584177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).