5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide

C13H24N4O3 — CID 134268874

IUPAC5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide
SMILESCC(CC(C)(C)C(=O)N1CCN(C=O)CC1)C(=O)NN
InChIInChI=1S/C13H24N4O3/c1-10(11(19)15-14)8-13(2,3)12(20)17-6-4-16(9-18)5-7-17/h9-10H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyADKSMYWOMWCQEO-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.67
Rot. Bonds5

About 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide

5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide (PubChem CID 134268874) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide.

Molecular Properties

Compound Name5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide
PubChem CID134268874
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide
SMILESCC(CC(C)(C)C(=O)N1CCN(C=O)CC1)C(=O)NN
InChIInChI=1S/C13H24N4O3/c1-10(11(19)15-14)8-13(2,3)12(20)17-6-4-16(9-18)5-7-17/h9-10H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyADKSMYWOMWCQEO-UHFFFAOYSA-N
XLogP-0.67
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide with MolForge

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Related Compounds

1-[(2S)-3,3-dimethyl-2-(2-methylhydrazinyl)butyl]-3,3-dimethylpiperidine-2,6-dione
CID 148072534
2-Methyl-4-[4-(4-methylpentyl)piperazin-1-yl]-4-oxobutanehydrazide
CID 168749134
2,4,4-Trimethyl-5-[4-(5-methylhexyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 170127127
5-[4-(4-Ethylhexyl)piperazin-1-yl]-2,2,4-trimethyl-5-oxopentanehydrazide
CID 170127715
4-(2-Methylpropyl)piperazine-1-carbaldehyde;pentanehydrazide
CID 171559201
5-(4-Acetylpiperazin-1-yl)-5-oxopentanehydrazide
CID 4739854
5-[4-(2-Methylpropyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 4740718
5-(4-Methylpiperazin-1-yl)-5-oxopentanehydrazide
CID 4740808
1-(2,2-Dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
5-(4,4-Dimethyl-2,6-dioxopiperidin-1-yl)pentanehydrazide
CID 55213101
5-(4-Acetylpiperazin-1-yl)pentanehydrazide
CID 55213622
2-[1-(2-Hydrazinyl-2-oxoacetyl)piperidin-4-yl]acetamide
CID 61574449

Frequently Asked Questions

What is the IUPAC name of 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide?
The IUPAC name of 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide (CID 134268874) is 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide.
What is the SMILES notation for 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide?
The canonical SMILES for 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide is CC(CC(C)(C)C(=O)N1CCN(C=O)CC1)C(=O)NN.
What is the InChIKey of 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide?
The InChIKey is ADKSMYWOMWCQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-10(11(19)15-14)8-13(2,3)12(20)17-6-4-16(9-18)5-7-17/h9-10H,4-8,14H2,1-3H3,(H,15,19).
What are the key properties of 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide?
5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide has a molecular weight of 284.36 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-formylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentanehydrazide is sourced from PubChem (CID 134268874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).