1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide

C20H21IN2O3 — CID 36562759

IUPAC1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)COc2cccc(I)c2)CC1
InChIInChI=1S/C20H21IN2O3/c21-16-5-4-8-18(13-16)26-14-19(24)23-11-9-15(10-12-23)20(25)22-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,22,25)
InChIKeyQBVRNCQEBJRMEZ-UHFFFAOYSA-N
MW464.30 g/mol
LogP3.55
Rot. Bonds5

About 1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 36562759) has the molecular formula C20H21IN2O3 and a molecular weight of 464.30 g/mol. Its IUPAC name is 1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID36562759
Molecular FormulaC20H21IN2O3
Molecular Weight464.30 g/mol
Exact Mass464.06
IUPAC Name1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)COc2cccc(I)c2)CC1
InChIInChI=1S/C20H21IN2O3/c21-16-5-4-8-18(13-16)26-14-19(24)23-11-9-15(10-12-23)20(25)22-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,22,25)
InChIKeyQBVRNCQEBJRMEZ-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.30
LogP ≤ 53.55
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-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
CID 42004675
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631254
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119624774
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide (CID 36562759) is 1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)COc2cccc(I)c2)CC1.
What is the InChIKey of 1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is QBVRNCQEBJRMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21IN2O3/c21-16-5-4-8-18(13-16)26-14-19(24)23-11-9-15(10-12-23)20(25)22-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,22,25).
What are the key properties of 1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 464.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 36562759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).