ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride

C18H23ClNO4- — CID 53313482

IUPACethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
SMILESCCOC(=O)c1c(CN2CCCCC2)oc2ccc(OC)cc12.[Cl-]
InChIInChI=1S/C18H23NO4.ClH/c1-3-22-18(20)17-14-11-13(21-2)7-8-15(14)23-16(17)12-19-9-5-4-6-10-19;/h7-8,11H,3-6,9-10,12H2,1-2H3;1H/p-1
InChIKeyHGZSBQVMILARPH-UHFFFAOYSA-M
MW352.84 g/mol
LogP0.61
Rot. Bonds5

About ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride

ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride (PubChem CID 53313482) has the molecular formula C18H23ClNO4- and a molecular weight of 352.84 g/mol. Its IUPAC name is ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride.

Molecular Properties

Compound Nameethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
PubChem CID53313482
Molecular FormulaC18H23ClNO4-
Molecular Weight352.84 g/mol
Exact Mass352.13
IUPAC Nameethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
SMILESCCOC(=O)c1c(CN2CCCCC2)oc2ccc(OC)cc12.[Cl-]
InChIInChI=1S/C18H23NO4.ClH/c1-3-22-18(20)17-14-11-13(21-2)7-8-15(14)23-16(17)12-19-9-5-4-6-10-19;/h7-8,11H,3-6,9-10,12H2,1-2H3;1H/p-1
InChIKeyHGZSBQVMILARPH-UHFFFAOYSA-M
XLogP0.61
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride
CID 90484357
ethyl 5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride
CID 2917341
ethyl 5-methoxy-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 686798
ethyl 2-[(carbamothioylamino)methyl]-5-methoxy-1-benzofuran-3-carboxylate;hydrobromide
CID 131882913
ethyl 2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 49230182
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
ethyl 5-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-2-phenyl-1-benzofuran-3-carboxylate
CID 3427139
ethyl 2-[(3-acetamidopiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate
CID 51100491
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
CID 131696400
ethyl 5-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 1283491
(3-ethoxycarbonyl-5-hydroxy-1-benzofuran-2-yl)methyl-dimethylazanium chloride
CID 44659997
ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
CID 3124075

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride?
The IUPAC name of ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride (CID 53313482) is ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride.
What is the SMILES notation for ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride?
The canonical SMILES for ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride is CCOC(=O)c1c(CN2CCCCC2)oc2ccc(OC)cc12.[Cl-].
What is the InChIKey of ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride?
The InChIKey is HGZSBQVMILARPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H23NO4.ClH/c1-3-22-18(20)17-14-11-13(21-2)7-8-15(14)23-16(17)12-19-9-5-4-6-10-19;/h7-8,11H,3-6,9-10,12H2,1-2H3;1H/p-1.
What are the key properties of ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride?
ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride has a molecular weight of 352.84 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride is sourced from PubChem (CID 53313482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).