ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate

C19H24N2O4 — CID 51100491

IUPACethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(CN2CCCC(NC(C)=O)C2)oc2ccccc12
InChIInChI=1S/C19H24N2O4/c1-3-24-19(23)18-15-8-4-5-9-16(15)25-17(18)12-21-10-6-7-14(11-21)20-13(2)22/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,20,22)
InChIKeyUKNXJOGAJHPHQG-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.71
Rot. Bonds5

About ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate

ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate (PubChem CID 51100491) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate
PubChem CID51100491
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nameethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(CN2CCCC(NC(C)=O)C2)oc2ccccc12
InChIInChI=1S/C19H24N2O4/c1-3-24-19(23)18-15-8-4-5-9-16(15)25-17(18)12-21-10-6-7-14(11-21)20-13(2)22/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,20,22)
InChIKeyUKNXJOGAJHPHQG-UHFFFAOYSA-N
XLogP2.71
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 49230182
ethyl 2-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]-1-benzofuran-3-carboxylate
CID 95052340
ethyl 2-[[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]-1-benzofuran-3-carboxylate
CID 100903672
2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63585728
2-[(3-methoxypiperidin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 102959581
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
ethyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 49229636
2-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 55212248
ethyl 2-[[(2S,3aS,7aS)-2-carbamoyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 100856227
2-[(3-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63573029
2-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 103540522
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate (CID 51100491) is ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate is CCOC(=O)c1c(CN2CCCC(NC(C)=O)C2)oc2ccccc12.
What is the InChIKey of ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate?
The InChIKey is UKNXJOGAJHPHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-24-19(23)18-15-8-4-5-9-16(15)25-17(18)12-21-10-6-7-14(11-21)20-13(2)22/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate?
ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 51100491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).