ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate

C17H20N2O4 — CID 110854089

IUPACethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2coc3ccccc23)CC1
InChIInChI=1S/C17H20N2O4/c1-2-22-17(21)19-9-7-18(8-10-19)16(20)11-13-12-23-15-6-4-3-5-14(13)15/h3-6,12H,2,7-11H2,1H3
InChIKeyABAUEQFNCPYSKG-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.28
Rot. Bonds3

About ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate (PubChem CID 110854089) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
PubChem CID110854089
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2coc3ccccc23)CC1
InChIInChI=1S/C17H20N2O4/c1-2-22-17(21)19-9-7-18(8-10-19)16(20)11-13-12-23-15-6-4-3-5-14(13)15/h3-6,12H,2,7-11H2,1H3
InChIKeyABAUEQFNCPYSKG-UHFFFAOYSA-N
XLogP2.28
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110850236
ethyl 4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazine-1-carboxylate
CID 5163496
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
ethyl 4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-1-carboxylate
CID 2678381
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 115276986
N-[2-[1-[2-(1-benzofuran-3-yl)acetyl]piperidin-4-yl]-2-methylpropyl]-2-chloroacetamide
CID 167919805
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone
CID 18860467
2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18872472
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
CID 99623799
tert-butyl 4-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 34019092
ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate
CID 80702154

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate (CID 110854089) is ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2coc3ccccc23)CC1.
What is the InChIKey of ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is ABAUEQFNCPYSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-22-17(21)19-9-7-18(8-10-19)16(20)11-13-12-23-15-6-4-3-5-14(13)15/h3-6,12H,2,7-11H2,1H3.
What are the key properties of ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110854089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).