ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate

C16H19NO4 — CID 57229796

IUPACethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C16H19NO4/c1-2-19-16(18)15-14(20-11-7-9-17-10-8-11)12-5-3-4-6-13(12)21-15/h3-6,11,17H,2,7-10H2,1H3
InChIKeyHUZCOELURBCGEQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.74
Rot. Bonds4

About ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate

ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate (PubChem CID 57229796) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate
PubChem CID57229796
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1OC1CCNCC1
InChIInChI=1S/C16H19NO4/c1-2-19-16(18)15-14(20-11-7-9-17-10-8-11)12-5-3-4-6-13(12)21-15/h3-6,11,17H,2,7-10H2,1H3
InChIKeyHUZCOELURBCGEQ-UHFFFAOYSA-N
XLogP2.74
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
ethyl 3-nitro-1-benzofuran-2-carboxylate
CID 154251885
(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-phenylmethanone
CID 71449869
ethyl 3-[[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]methyl]-1-benzofuran-2-carboxylate
CID 34929643
ethyl 3-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylate
CID 56542808
ethyl 3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate
CID 40585574
(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8853364
ethyl 2-chloro-1-benzofuran-3-carboxylate
CID 151284906
3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204
ethyl dibenzofuran-1-carboxylate
CID 11858911
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653300

Frequently Asked Questions

What is the IUPAC name of ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate (CID 57229796) is ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1OC1CCNCC1.
What is the InChIKey of ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate?
The InChIKey is HUZCOELURBCGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-19-16(18)15-14(20-11-7-9-17-10-8-11)12-5-3-4-6-13(12)21-15/h3-6,11,17H,2,7-10H2,1H3.
What are the key properties of ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate?
ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-piperidin-4-yloxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 57229796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).