ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate

C19H25N3O5 — CID 113217766

IUPACethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCc2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C19H25N3O5/c1-2-25-19(24)22-7-5-21(6-8-22)18(23)20-12-15-14-4-10-26-16(14)11-13-3-9-27-17(13)15/h11H,2-10,12H2,1H3,(H,20,23)
InChIKeyXIOXKNDKHILZIO-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.54
Rot. Bonds3

About ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate

ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate (PubChem CID 113217766) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate
PubChem CID113217766
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Nameethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)NCc2c3c(cc4c2OCC4)OCC3)CC1
InChIInChI=1S/C19H25N3O5/c1-2-25-19(24)22-7-5-21(6-8-22)18(23)20-12-15-14-4-10-26-16(14)11-13-3-9-27-17(13)15/h11H,2-10,12H2,1H3,(H,20,23)
InChIKeyXIOXKNDKHILZIO-UHFFFAOYSA-N
XLogP1.54
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate (CID 113217766) is ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)NCc2c3c(cc4c2OCC4)OCC3)CC1.
What is the InChIKey of ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is XIOXKNDKHILZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-2-25-19(24)22-7-5-21(6-8-22)18(23)20-12-15-14-4-10-26-16(14)11-13-3-9-27-17(13)15/h11H,2-10,12H2,1H3,(H,20,23).
What are the key properties of ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate?
ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 113217766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).