4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide

C12H24N4O2 — CID 4740449

IUPAC4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide
SMILESCCC(C)N1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C12H24N4O2/c1-3-10(2)15-6-8-16(9-7-15)12(18)5-4-11(17)14-13/h10H,3-9,13H2,1-2H3,(H,14,17)
InChIKeyAPPDYADTTULWQR-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.30
Rot. Bonds5

About 4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide

4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide (PubChem CID 4740449) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide
PubChem CID4740449
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide
SMILESCCC(C)N1CCN(C(=O)CCC(=O)NN)CC1
InChIInChI=1S/C12H24N4O2/c1-3-10(2)15-6-8-16(9-7-15)12(18)5-4-11(17)14-13/h10H,3-9,13H2,1-2H3,(H,14,17)
InChIKeyAPPDYADTTULWQR-UHFFFAOYSA-N
XLogP-0.30
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.30
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide (CID 4740449) is 4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide is CCC(C)N1CCN(C(=O)CCC(=O)NN)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide?
The InChIKey is APPDYADTTULWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-10(2)15-6-8-16(9-7-15)12(18)5-4-11(17)14-13/h10H,3-9,13H2,1-2H3,(H,14,17).
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide?
4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide has a molecular weight of 256.35 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)-4-oxobutanehydrazide is sourced from PubChem (CID 4740449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).