ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate

C15H18N2O4 — CID 663188

IUPACethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2OC(=O)c3ccccc32)CC1
InChIInChI=1S/C15H18N2O4/c1-2-20-15(19)17-9-7-16(8-10-17)13-11-5-3-4-6-12(11)14(18)21-13/h3-6,13H,2,7-10H2,1H3
InChIKeyRNLBLHKWAIISER-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.63
Rot. Bonds2

About ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate

ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate (PubChem CID 663188) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate
PubChem CID663188
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2OC(=O)c3ccccc32)CC1
InChIInChI=1S/C15H18N2O4/c1-2-20-15(19)17-9-7-16(8-10-17)13-11-5-3-4-6-12(11)14(18)21-13/h3-6,13H,2,7-10H2,1H3
InChIKeyRNLBLHKWAIISER-UHFFFAOYSA-N
XLogP1.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 663332
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CID 1322784
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CID 141736896
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CID 3796131
CID 3796131
CID 300505
CID 300505
CID 455110
CID 455110
CID 16090453
CID 16090453
CID 1121702
CID 1121702
CID 3387141
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CID 5389515
CID 5389515
CID 5260631
CID 5260631

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate (CID 663188) is ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C2OC(=O)c3ccccc32)CC1.
What is the InChIKey of ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate?
The InChIKey is RNLBLHKWAIISER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-20-15(19)17-9-7-16(8-10-17)13-11-5-3-4-6-12(11)14(18)21-13/h3-6,13H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate?
ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate is sourced from PubChem (CID 663188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).