2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone

C21H23NO2 — CID 56570370

IUPAC2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
SMILESC=C1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C21H23NO2/c1-17-11-13-22(14-12-17)21(23)16-24-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10H,1,11-16H2
InChIKeyLJDRXKCSLBPECG-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.83
Rot. Bonds5

About 2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone

2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone (PubChem CID 56570370) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
PubChem CID56570370
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
SMILESC=C1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C21H23NO2/c1-17-11-13-22(14-12-17)21(23)16-24-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10H,1,11-16H2
InChIKeyLJDRXKCSLBPECG-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 7936761
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558
2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
CID 60529408
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124611231
2-(2-benzylphenoxy)-1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 100644833
2-(2-benzylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26001928
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
2-(2-benzylphenoxy)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 17430734

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone (CID 56570370) is 2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone is C=C1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of 2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone?
The InChIKey is LJDRXKCSLBPECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-17-11-13-22(14-12-17)21(23)16-24-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10H,1,11-16H2.
What are the key properties of 2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone?
2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone has a molecular weight of 321.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone is sourced from PubChem (CID 56570370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).