tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate

C12H22N4O4 — CID 90181726

IUPACtert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C12H22N4O4/c1-12(2,3)20-11(19)16-6-4-15(5-7-16)10(18)8-9(17)14-13/h4-8,13H2,1-3H3,(H,14,17)
InChIKeyKNSVEAYOAKQLAR-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.55
Rot. Bonds2

About tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate

tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate (PubChem CID 90181726) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate
PubChem CID90181726
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Nametert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CC(=O)NN)CC1
InChIInChI=1S/C12H22N4O4/c1-12(2,3)20-11(19)16-6-4-15(5-7-16)10(18)8-9(17)14-13/h4-8,13H2,1-3H3,(H,14,17)
InChIKeyKNSVEAYOAKQLAR-UHFFFAOYSA-N
XLogP-0.55
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate (CID 90181726) is tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)CC(=O)NN)CC1.
What is the InChIKey of tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate?
The InChIKey is KNSVEAYOAKQLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-12(2,3)20-11(19)16-6-4-15(5-7-16)10(18)8-9(17)14-13/h4-8,13H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate?
tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate has a molecular weight of 286.33 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-hydrazinyl-3-oxopropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 90181726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).