tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate

C18H34N4O3 — CID 59370250

IUPACtert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C)C[C@@H]1C(=O)N1CCNCC1
InChIInChI=1S/C18H34N4O3/c1-17(2,3)21-11-12-22(16(24)25-18(4,5)6)14(13-21)15(23)20-9-7-19-8-10-20/h14,19H,7-13H2,1-6H3/t14-/m1/s1
InChIKeyAVVOHDKRFCLHFS-CQSZACIVSA-N
MW354.50 g/mol
LogP1.14
Rot. Bonds1

About tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate

tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate (PubChem CID 59370250) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate
PubChem CID59370250
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Nametert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(C)(C)C)C[C@@H]1C(=O)N1CCNCC1
InChIInChI=1S/C18H34N4O3/c1-17(2,3)21-11-12-22(16(24)25-18(4,5)6)14(13-21)15(23)20-9-7-19-8-10-20/h14,19H,7-13H2,1-6H3/t14-/m1/s1
InChIKeyAVVOHDKRFCLHFS-CQSZACIVSA-N
XLogP1.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)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 (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate (CID 59370250) is tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(C)(C)C)C[C@@H]1C(=O)N1CCNCC1.
What is the InChIKey of tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate?
The InChIKey is AVVOHDKRFCLHFS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-17(2,3)21-11-12-22(16(24)25-18(4,5)6)14(13-21)15(23)20-9-7-19-8-10-20/h14,19H,7-13H2,1-6H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate?
tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate has a molecular weight of 354.50 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 59370250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).