2-(4-benzylpiperazin-1-yl)pentanehydrazide

C16H26N4O — CID 83052064

IUPAC2-(4-benzylpiperazin-1-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c1-2-6-15(16(21)18-17)20-11-9-19(10-12-20)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3,(H,18,21)
InChIKeyGQNPIBQJLXYJRL-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.96
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)pentanehydrazide

2-(4-benzylpiperazin-1-yl)pentanehydrazide (PubChem CID 83052064) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)pentanehydrazide
PubChem CID83052064
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(4-benzylpiperazin-1-yl)pentanehydrazide
SMILESCCCC(C(=O)NN)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N4O/c1-2-6-15(16(21)18-17)20-11-9-19(10-12-20)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3,(H,18,21)
InChIKeyGQNPIBQJLXYJRL-UHFFFAOYSA-N
XLogP0.96
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 83052069
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
2-(4-benzylpiperazin-1-yl)pentanethioamide
CID 63341589
2-(4-benzylpiperazin-1-yl)-4-hydroxy-N-(2-phenylethyl)butanamide
CID 15309004
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide
CID 134014925
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
diethyl 2-[1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethyl]propanedioate
CID 10862623
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pentanethioamide
CID 63341766
2-[4-(2-phenylethyl)piperazin-1-yl]pentanethioamide
CID 63341932
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
ethyl 2-(4-benzylpiperazin-1-yl)-2-(4-phenylphenyl)acetate
CID 121454645

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)pentanehydrazide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)pentanehydrazide (CID 83052064) is 2-(4-benzylpiperazin-1-yl)pentanehydrazide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)pentanehydrazide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)pentanehydrazide is CCCC(C(=O)NN)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)pentanehydrazide?
The InChIKey is GQNPIBQJLXYJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-6-15(16(21)18-17)20-11-9-19(10-12-20)13-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3,(H,18,21).
What are the key properties of 2-(4-benzylpiperazin-1-yl)pentanehydrazide?
2-(4-benzylpiperazin-1-yl)pentanehydrazide has a molecular weight of 290.41 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)pentanehydrazide is sourced from PubChem (CID 83052064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).