ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride

C19H26ClNO4 — CID 6603495

IUPACethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(CN2CCCCC2C)oc2ccc(OC)cc12.Cl
InChIInChI=1S/C19H25NO4.ClH/c1-4-23-19(21)18-15-11-14(22-3)8-9-16(15)24-17(18)12-20-10-6-5-7-13(20)2;/h8-9,11,13H,4-7,10,12H2,1-3H3;1H
InChIKeyOCRZDVOADQWECU-UHFFFAOYSA-N
MW367.87 g/mol
LogP4.41
Rot. Bonds5

About ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride

ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride (PubChem CID 6603495) has the molecular formula C19H26ClNO4 and a molecular weight of 367.87 g/mol. Its IUPAC name is ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride
PubChem CID6603495
Molecular FormulaC19H26ClNO4
Molecular Weight367.87 g/mol
Exact Mass367.16
IUPAC Nameethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(CN2CCCCC2C)oc2ccc(OC)cc12.Cl
InChIInChI=1S/C19H25NO4.ClH/c1-4-23-19(21)18-15-11-14(22-3)8-9-16(15)24-17(18)12-20-10-6-5-7-13(20)2;/h8-9,11,13H,4-7,10,12H2,1-3H3;1H
InChIKeyOCRZDVOADQWECU-UHFFFAOYSA-N
XLogP4.41
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Phenicaberan
CID 40122
Ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
CID 2129850
(2,5-Dimethoxy-phenyl)-(4-dimethylaminomethyl-5-hydroxy-benzofuran-3-yl)-methanone
CID 23724433
3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-phenyl-, ethyl ester, hydrochloride (1:1)
CID 10452131
3-(Isopropoxycarbonyl)-2-methylbenzofuran-5-yl morpholine-4-carboxylate
CID 708278
5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 782051
Ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
CID 1113703
Ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
CID 2129848
5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 679872
{4-[(Diethylamino)methyl]-5-hydroxy-1-benzofuran-3-yl}(phenyl)methanone
CID 759871
Ethyl 5-hydroxy-4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-methylnaphtho[1,2-b]furan-3-carboxylate
CID 1523396
Ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate
CID 38727

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride (CID 6603495) is ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride is CCOC(=O)c1c(CN2CCCCC2C)oc2ccc(OC)cc12.Cl.
What is the InChIKey of ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride?
The InChIKey is OCRZDVOADQWECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4.ClH/c1-4-23-19(21)18-15-11-14(22-3)8-9-16(15)24-17(18)12-20-10-6-5-7-13(20)2;/h8-9,11,13H,4-7,10,12H2,1-3H3;1H.
What are the key properties of ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride?
ethyl 5-methoxy-2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride has a molecular weight of 367.87 g/mol, XLogP of 4.41, 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-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxylate;hydrochloride is sourced from PubChem (CID 6603495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).