tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate

C21H22N2O4 — CID 175785787

IUPACtert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)oc2ccccc23)C(=O)C1
InChIInChI=1S/C21H22N2O4/c1-21(2,3)27-20(25)22-10-11-23(19(24)13-22)14-8-9-16-15-6-4-5-7-17(15)26-18(16)12-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyYLNXOQVSPUWFSF-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.17
Rot. Bonds1

About tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate

tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate (PubChem CID 175785787) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate
PubChem CID175785787
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nametert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)oc2ccccc23)C(=O)C1
InChIInChI=1S/C21H22N2O4/c1-21(2,3)27-20(25)22-10-11-23(19(24)13-22)14-8-9-16-15-6-4-5-7-17(15)26-18(16)12-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyYLNXOQVSPUWFSF-UHFFFAOYSA-N
XLogP4.17
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate (CID 175785787) is tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)oc2ccccc23)C(=O)C1.
What is the InChIKey of tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate?
The InChIKey is YLNXOQVSPUWFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-21(2,3)27-20(25)22-10-11-23(19(24)13-22)14-8-9-16-15-6-4-5-7-17(15)26-18(16)12-14/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate?
tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 175785787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).