2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone

C20H22INO3 — CID 55461347

IUPAC2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(I)cc1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H22INO3/c21-17-6-8-18(9-7-17)25-15-20(23)22-12-10-19(11-13-22)24-14-16-4-2-1-3-5-16/h1-9,19H,10-15H2
InChIKeyHSJHGACOWAZTGQ-UHFFFAOYSA-N
MW451.30 g/mol
LogP3.88
Rot. Bonds6

About 2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone

2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone (PubChem CID 55461347) has the molecular formula C20H22INO3 and a molecular weight of 451.30 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
PubChem CID55461347
Molecular FormulaC20H22INO3
Molecular Weight451.30 g/mol
Exact Mass451.06
IUPAC Name2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(I)cc1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H22INO3/c21-17-6-8-18(9-7-17)25-15-20(23)22-12-10-19(11-13-22)24-14-16-4-2-1-3-5-16/h1-9,19H,10-15H2
InChIKeyHSJHGACOWAZTGQ-UHFFFAOYSA-N
XLogP3.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709
N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692445
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
CID 91918267
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119644698
1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
CID 63575915
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone (CID 55461347) is 2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone is O=C(COc1ccc(I)cc1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
The InChIKey is HSJHGACOWAZTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22INO3/c21-17-6-8-18(9-7-17)25-15-20(23)22-12-10-19(11-13-22)24-14-16-4-2-1-3-5-16/h1-9,19H,10-15H2.
What are the key properties of 2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone?
2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone has a molecular weight of 451.30 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 55461347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).