3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide

C12H26N6O2 — CID 23136097

IUPAC3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide
SMILESCC(CC(=O)NN)N1CCN(C(C)CC(=O)NN)CC1
InChIInChI=1S/C12H26N6O2/c1-9(7-11(19)15-13)17-3-5-18(6-4-17)10(2)8-12(20)16-14/h9-10H,3-8,13-14H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyXNAUKOSMEQJMBP-UHFFFAOYSA-N
MW286.38 g/mol
LogP-1.86
Rot. Bonds6

About 3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide

3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide (PubChem CID 23136097) has the molecular formula C12H26N6O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide.

Molecular Properties

Compound Name3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide
PubChem CID23136097
Molecular FormulaC12H26N6O2
Molecular Weight286.38 g/mol
Exact Mass286.21
IUPAC Name3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide
SMILESCC(CC(=O)NN)N1CCN(C(C)CC(=O)NN)CC1
InChIInChI=1S/C12H26N6O2/c1-9(7-11(19)15-13)17-3-5-18(6-4-17)10(2)8-12(20)16-14/h9-10H,3-8,13-14H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyXNAUKOSMEQJMBP-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide?
The IUPAC name of 3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide (CID 23136097) is 3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide.
What is the SMILES notation for 3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide?
The canonical SMILES for 3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide is CC(CC(=O)NN)N1CCN(C(C)CC(=O)NN)CC1.
What is the InChIKey of 3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide?
The InChIKey is XNAUKOSMEQJMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N6O2/c1-9(7-11(19)15-13)17-3-5-18(6-4-17)10(2)8-12(20)16-14/h9-10H,3-8,13-14H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of 3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide?
3-[4-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide 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-(4-hydrazinyl-4-oxobutan-2-yl)piperazin-1-yl]butanehydrazide is sourced from PubChem (CID 23136097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).