ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate

C20H21NO3 — CID 54207843

IUPACethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cc3c(ccc4ccccc43)o2)CC1
InChIInChI=1S/C20H21NO3/c1-2-23-20(22)21-11-9-15(10-12-21)19-13-17-16-6-4-3-5-14(16)7-8-18(17)24-19/h3-8,13,15H,2,9-12H2,1H3
InChIKeyPTUGYHMCSSSZTD-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.92
Rot. Bonds2

About ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate

ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate (PubChem CID 54207843) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate
PubChem CID54207843
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cc3c(ccc4ccccc43)o2)CC1
InChIInChI=1S/C20H21NO3/c1-2-23-20(22)21-11-9-15(10-12-21)19-13-17-16-6-4-3-5-14(16)7-8-18(17)24-19/h3-8,13,15H,2,9-12H2,1H3
InChIKeyPTUGYHMCSSSZTD-UHFFFAOYSA-N
XLogP4.92
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
ethyl 4-[(4-methylfuro[3,2-c]quinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 5309684
1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide
CID 19132814
ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
CID 15124802
ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
CID 72702552
ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate
CID 57173709
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 8695507
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate (CID 54207843) is ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate is CCOC(=O)N1CCC(c2cc3c(ccc4ccccc43)o2)CC1.
What is the InChIKey of ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate?
The InChIKey is PTUGYHMCSSSZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-23-20(22)21-11-9-15(10-12-21)19-13-17-16-6-4-3-5-14(16)7-8-18(17)24-19/h3-8,13,15H,2,9-12H2,1H3.
What are the key properties of ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate?
ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 54207843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).