tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate

C14H25N3O3 — CID 23138143

IUPACtert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2CCNCC2)C(=O)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-8-9-17(12(18)10-16)11-4-6-15-7-5-11/h11,15H,4-10H2,1-3H3
InChIKeySKNLHXXLVUSUQX-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.82
Rot. Bonds1

About tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate

tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate (PubChem CID 23138143) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate
PubChem CID23138143
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2CCNCC2)C(=O)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-8-9-17(12(18)10-16)11-4-6-15-7-5-11/h11,15H,4-10H2,1-3H3
InChIKeySKNLHXXLVUSUQX-UHFFFAOYSA-N
XLogP0.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-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 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate (CID 23138143) is tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2CCNCC2)C(=O)C1.
What is the InChIKey of tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate?
The InChIKey is SKNLHXXLVUSUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-8-9-17(12(18)10-16)11-4-6-15-7-5-11/h11,15H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate?
tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-4-piperidin-4-ylpiperazine-1-carboxylate is sourced from PubChem (CID 23138143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).