N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide

C22H25IN2O3 — CID 55692445

IUPACN-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)COc2ccc(I)cc2)CC1
InChIInChI=1S/C22H25IN2O3/c23-18-7-9-20(10-8-18)28-16-22(27)25-14-12-19(13-15-25)24-21(26)11-6-17-4-2-1-3-5-17/h1-5,7-10,19H,6,11-16H2,(H,24,26)
InChIKeyKZLKSIJVYSXHAD-UHFFFAOYSA-N
MW492.36 g/mol
LogP3.41
Rot. Bonds7

About N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55692445) has the molecular formula C22H25IN2O3 and a molecular weight of 492.36 g/mol. Its IUPAC name is N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55692445
Molecular FormulaC22H25IN2O3
Molecular Weight492.36 g/mol
Exact Mass492.09
IUPAC NameN-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)COc2ccc(I)cc2)CC1
InChIInChI=1S/C22H25IN2O3/c23-18-7-9-20(10-8-18)28-16-22(27)25-14-12-19(13-15-25)24-21(26)11-6-17-4-2-1-3-5-17/h1-5,7-10,19H,6,11-16H2,(H,24,26)
InChIKeyKZLKSIJVYSXHAD-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
3-(4-chlorophenyl)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108556618
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 55461347
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide (CID 55692445) is N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(C(=O)COc2ccc(I)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is KZLKSIJVYSXHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25IN2O3/c23-18-7-9-20(10-8-18)28-16-22(27)25-14-12-19(13-15-25)24-21(26)11-6-17-4-2-1-3-5-17/h1-5,7-10,19H,6,11-16H2,(H,24,26).
What are the key properties of N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 492.36 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55692445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).