benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate

C22H23NO4 — CID 71453514

IUPACbenzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2ccccc2)oc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C22H23NO4/c1-15-20-18(26-17-10-12-23-13-11-17)8-5-9-19(20)27-21(15)22(24)25-14-16-6-3-2-4-7-16/h2-9,17,23H,10-14H2,1H3
InChIKeyJEBFVIXVDRXPMH-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.23
Rot. Bonds5

About benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate

benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate (PubChem CID 71453514) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate
PubChem CID71453514
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Namebenzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2ccccc2)oc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C22H23NO4/c1-15-20-18(26-17-10-12-23-13-11-17)8-5-9-19(20)27-21(15)22(24)25-14-16-6-3-2-4-7-16/h2-9,17,23H,10-14H2,1H3
InChIKeyJEBFVIXVDRXPMH-UHFFFAOYSA-N
XLogP4.23
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-Butylamino-3-(dibenzofuran-1-yloxy)-propan-2-ol
CID 23968266
Ethyl 4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate
CID 489104
3-Methoxybenzyl 3-Methyl-4-(Piperidin-4-Yloxy)-1-Benzofuran-2-Carboxylate
CID 60210957
Ethyl 4-({(2s)-2-Hydroxy-3-[(1-Methylethyl)amino]propyl}oxy)-3-Methyl-1-Benzofuran-2-Carboxylate
CID 913103
Ethyl 3-[[acetyl(benzyl)amino]methyl]-4-hydroxy-1-benzofuran-2-carboxylate
CID 1069130
Ethyl 4-(2-hydroxy-3-(isopropylamino)propoxy)-3-methylbenzofuran-2-carboxylate hydrochloride
CID 6602742
1-[3-Methyl-4-(Piperidin-4-Yloxy)-1-Benzofuran-2-Yl]-3-Phenylpropan-1-One
CID 60210953
Ethyl 4-{3-[(tert-butyl)amino]-2-hydroxypropoxy}-3-methylbenzo[d]furan-2-carboxylate
CID 489106
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2661339
Ethyl 4-hydroxy-3-(morpholinomethyl)benzofuran-2-carboxylate hydrochloride
CID 2882661
3-(Phenoxymethyl)-2-benzofurancarboxylic acid (1-amino-1-oxopropan-2-yl) ester
CID 3326378
[2-Oxo-2-(2-phenylethylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186963

Frequently Asked Questions

What is the IUPAC name of benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate?
The IUPAC name of benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate (CID 71453514) is benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate?
The canonical SMILES for benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCc2ccccc2)oc2cccc(OC3CCNCC3)c12.
What is the InChIKey of benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate?
The InChIKey is JEBFVIXVDRXPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-15-20-18(26-17-10-12-23-13-11-17)8-5-9-19(20)27-21(15)22(24)25-14-16-6-3-2-4-7-16/h2-9,17,23H,10-14H2,1H3.
What are the key properties of benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate?
benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 71453514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).