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

C14H26N4O3 — CID 18432746

IUPACtert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)18-10-8-17(9-11-18)12(19)16-6-4-15-5-7-16/h15H,4-11H2,1-3H3
InChIKeyRERBITYCANEVPA-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.56
Rot. Bonds

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

tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate (PubChem CID 18432746) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate
PubChem CID18432746
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nametert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)18-10-8-17(9-11-18)12(19)16-6-4-15-5-7-16/h15H,4-11H2,1-3H3
InChIKeyRERBITYCANEVPA-UHFFFAOYSA-N
XLogP0.56
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate (CID 18432746) is tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)N2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate?
The InChIKey is RERBITYCANEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)18-10-8-17(9-11-18)12(19)16-6-4-15-5-7-16/h15H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 18432746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).