[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C24H25NO5 — CID 7415393

IUPAC[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H25NO5/c26-20-6-7-21-19(15-29-22(21)14-20)13-24(28)30-16-23(27)25-10-8-18(9-11-25)12-17-4-2-1-3-5-17/h1-7,14-15,18,26H,8-13,16H2
InChIKeyNSOYKEINROQOFI-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.71
Rot. Bonds6

About [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 7415393) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID7415393
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESO=C(Cc1coc2cc(O)ccc12)OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H25NO5/c26-20-6-7-21-19(15-29-22(21)14-20)13-24(28)30-16-23(27)25-10-8-18(9-11-25)12-17-4-2-1-3-5-17/h1-7,14-15,18,26H,8-13,16H2
InChIKeyNSOYKEINROQOFI-UHFFFAOYSA-N
XLogP3.71
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807227
[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8741057
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415577
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2362965
methyl 1-[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 2426417
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 5019550
1-(4-benzylpiperidin-1-yl)-2-(5-chloro-1-benzofuran-3-yl)ethanone
CID 18860355
1-(4-benzylpiperidin-1-yl)-2-(5-ethyl-1-benzofuran-3-yl)ethanone
CID 18860504
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523991
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183
2-phenoxyethyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414644
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8845835

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 7415393) is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate is O=C(Cc1coc2cc(O)ccc12)OCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is NSOYKEINROQOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c26-20-6-7-21-19(15-29-22(21)14-20)13-24(28)30-16-23(27)25-10-8-18(9-11-25)12-17-4-2-1-3-5-17/h1-7,14-15,18,26H,8-13,16H2.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 407.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7415393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).