[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone

C21H21NO3 — CID 35809417

IUPAC[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1oc2ccccc2c1COc1ccccc1)N1CCCCC1
InChIInChI=1S/C21H21NO3/c23-21(22-13-7-2-8-14-22)20-18(15-24-16-9-3-1-4-10-16)17-11-5-6-12-19(17)25-20/h1,3-6,9-12H,2,7-8,13-15H2
InChIKeyJBSSVUBLVMEBDU-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.64
Rot. Bonds4

About [3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone

[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone (PubChem CID 35809417) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is [3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
PubChem CID35809417
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1oc2ccccc2c1COc1ccccc1)N1CCCCC1
InChIInChI=1S/C21H21NO3/c23-21(22-13-7-2-8-14-22)20-18(15-24-16-9-3-1-4-10-16)17-11-5-6-12-19(17)25-20/h1,3-6,9-12H,2,7-8,13-15H2
InChIKeyJBSSVUBLVMEBDU-UHFFFAOYSA-N
XLogP4.64
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 51187023
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
CID 28943189
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7542257
[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 18105358
N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18287633
piperidin-1-yl-(3-piperidin-1-yl-1-benzofuran-2-yl)methanone
CID 779278
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573803
cyanomethyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 2644868
3-(phenoxymethyl)-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-1-benzofuran-2-carbohydrazide
CID 26523365
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267

Frequently Asked Questions

What is the IUPAC name of [3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone (CID 35809417) is [3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone is O=C(c1oc2ccccc2c1COc1ccccc1)N1CCCCC1.
What is the InChIKey of [3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
The InChIKey is JBSSVUBLVMEBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-21(22-13-7-2-8-14-22)20-18(15-24-16-9-3-1-4-10-16)17-11-5-6-12-19(17)25-20/h1,3-6,9-12H,2,7-8,13-15H2.
What are the key properties of [3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone?
[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone has a molecular weight of 335.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 35809417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).