5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide

C16H24N4O2 — CID 4741180

IUPAC5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide
SMILESCc1ccc(N2CCN(C(=O)CCCC(=O)NN)CC2)cc1
InChIInChI=1S/C16H24N4O2/c1-13-5-7-14(8-6-13)19-9-11-20(12-10-19)16(22)4-2-3-15(21)18-17/h5-8H,2-4,9-12,17H2,1H3,(H,18,21)
InChIKeyWSBQNMMPWAFHDL-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.80
Rot. Bonds5

About 5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide

5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide (PubChem CID 4741180) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide
PubChem CID4741180
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide
SMILESCc1ccc(N2CCN(C(=O)CCCC(=O)NN)CC2)cc1
InChIInChI=1S/C16H24N4O2/c1-13-5-7-14(8-6-13)19-9-11-20(12-10-19)16(22)4-2-3-15(21)18-17/h5-8H,2-4,9-12,17H2,1H3,(H,18,21)
InChIKeyWSBQNMMPWAFHDL-UHFFFAOYSA-N
XLogP0.80
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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

1-(4-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea
CID 3946205
5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide
CID 4740571
ethane;2-hydroxy-1-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 177161968
N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
ethyl 7-[4-(4-chlorophenyl)piperazin-1-yl]-7-oxoheptanoate
CID 57439165
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
ethyl 4-(4-pentanoylpiperazin-1-yl)benzoate
CID 110672913
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide
CID 30031547

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide?
The IUPAC name of 5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide (CID 4741180) is 5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide.
What is the SMILES notation for 5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide?
The canonical SMILES for 5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide is Cc1ccc(N2CCN(C(=O)CCCC(=O)NN)CC2)cc1.
What is the InChIKey of 5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide?
The InChIKey is WSBQNMMPWAFHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13-5-7-14(8-6-13)19-9-11-20(12-10-19)16(22)4-2-3-15(21)18-17/h5-8H,2-4,9-12,17H2,1H3,(H,18,21).
What are the key properties of 5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide?
5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide has a molecular weight of 304.39 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide is sourced from PubChem (CID 4741180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).