ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate

C17H20N2O4 — CID 31843225

IUPACethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H20N2O4/c1-2-22-17(21)19-9-7-13(8-10-19)18-16(20)15-11-12-5-3-4-6-14(12)23-15/h3-6,11,13H,2,7-10H2,1H3,(H,18,20)
InChIKeyLDQKMXSEXQMHDX-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.78
Rot. Bonds3

About ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate

ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 31843225) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
PubChem CID31843225
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H20N2O4/c1-2-22-17(21)19-9-7-13(8-10-19)18-16(20)15-11-12-5-3-4-6-14(12)23-15/h3-6,11,13H,2,7-10H2,1H3,(H,18,20)
InChIKeyLDQKMXSEXQMHDX-UHFFFAOYSA-N
XLogP2.78
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
ethyl 4-[[N-[2-(1-benzofuran-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111775146
ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 5309684
ethyl 4-[(7-methylfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 45106120
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 18230812
ethyl 4-[(1-benzylindole-2-carbonyl)amino]piperidine-1-carboxylate
CID 46491360
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate (CID 31843225) is ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is LDQKMXSEXQMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-22-17(21)19-9-7-13(8-10-19)18-16(20)15-11-12-5-3-4-6-14(12)23-15/h3-6,11,13H,2,7-10H2,1H3,(H,18,20).
What are the key properties of ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 31843225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).