3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide

C12H26N6O2 — CID 23136143

IUPAC3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide
SMILESCC1CN(CCC(=O)NN)C(C)CN1CCC(=O)NN
InChIInChI=1S/C12H26N6O2/c1-9-7-18(6-4-12(20)16-14)10(2)8-17(9)5-3-11(19)15-13/h9-10H,3-8,13-14H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyVYVPYUHUNQEACC-UHFFFAOYSA-N
MW286.38 g/mol
LogP-1.86
Rot. Bonds6

About 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide

3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide (PubChem CID 23136143) has the molecular formula C12H26N6O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide
PubChem CID23136143
Molecular FormulaC12H26N6O2
Molecular Weight286.38 g/mol
Exact Mass286.21
IUPAC Name3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide
SMILESCC1CN(CCC(=O)NN)C(C)CN1CCC(=O)NN
InChIInChI=1S/C12H26N6O2/c1-9-7-18(6-4-12(20)16-14)10(2)8-17(9)5-3-11(19)15-13/h9-10H,3-8,13-14H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyVYVPYUHUNQEACC-UHFFFAOYSA-N
XLogP-1.86
TPSA116.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

Analyze 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide with MolForge

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Related Compounds

3-(2-methylpiperidin-1-yl)propanehydrazide
CID 60676133
1-(4-hydrazinyl-4-oxobutyl)-6-methylpiperidine-3-carboxamide
CID 63585802
4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide
CID 114540686
5-(3,4-dimethylpyrrolidin-1-yl)pentanehydrazide
CID 79183788
2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate
CID 123807514
dodecyl 3-[4-(3-dodecoxy-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanoate
CID 20607045
butyl 3-(2-methylaziridin-1-yl)propanoate
CID 59135534
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propanehydrazide
CID 102938189
4-(3,4-dihydroxypyrrolidin-1-yl)butanehydrazide
CID 106674306
3-(4-aminopiperidin-1-yl)propanehydrazide
CID 63577535
2,2-bis[3-(2-methylaziridin-1-yl)propanoyloxymethyl]butyl 4-(2-methylaziridin-1-yl)butanoate
CID 171574259
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanehydrazide
CID 66371828

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide?
The IUPAC name of 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide (CID 23136143) is 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide.
What is the SMILES notation for 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide?
The canonical SMILES for 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide is CC1CN(CCC(=O)NN)C(C)CN1CCC(=O)NN.
What is the InChIKey of 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide?
The InChIKey is VYVPYUHUNQEACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N6O2/c1-9-7-18(6-4-12(20)16-14)10(2)8-17(9)5-3-11(19)15-13/h9-10H,3-8,13-14H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide?
3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide has a molecular weight of 286.38 g/mol, XLogP of -1.86, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydrazinyl-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanehydrazide is sourced from PubChem (CID 23136143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).