2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide

C13H15I3N2O2 — CID 60641561

IUPAC2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
SMILESO=C(CN1CCC(O)CC1)Nc1c(I)cc(I)cc1I
InChIInChI=1S/C13H15I3N2O2/c14-8-5-10(15)13(11(16)6-8)17-12(20)7-18-3-1-9(19)2-4-18/h5-6,9,19H,1-4,7H2,(H,17,20)
InChIKeyUDQBYDRXLCSLGN-UHFFFAOYSA-N
MW611.99 g/mol
LogP2.90
Rot. Bonds3

About 2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide

2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide (PubChem CID 60641561) has the molecular formula C13H15I3N2O2 and a molecular weight of 611.99 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
PubChem CID60641561
Molecular FormulaC13H15I3N2O2
Molecular Weight611.99 g/mol
Exact Mass611.83
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
SMILESO=C(CN1CCC(O)CC1)Nc1c(I)cc(I)cc1I
InChIInChI=1S/C13H15I3N2O2/c14-8-5-10(15)13(11(16)6-8)17-12(20)7-18-3-1-9(19)2-4-18/h5-6,9,19H,1-4,7H2,(H,17,20)
InChIKeyUDQBYDRXLCSLGN-UHFFFAOYSA-N
XLogP2.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.99
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
CID 63468164
2-[1-[2-oxo-2-(2,4,6-triiodoanilino)ethyl]azetidin-3-yl]acetic acid
CID 64618325
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,4,6-triiodophenyl)acetamide
CID 79028646
N-(2,6-diethylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51171911
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
dimethyl 5-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 18292355
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 34134610
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55131355
N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962201

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide (CID 60641561) is 2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide is O=C(CN1CCC(O)CC1)Nc1c(I)cc(I)cc1I.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide?
The InChIKey is UDQBYDRXLCSLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15I3N2O2/c14-8-5-10(15)13(11(16)6-8)17-12(20)7-18-3-1-9(19)2-4-18/h5-6,9,19H,1-4,7H2,(H,17,20).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide?
2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide has a molecular weight of 611.99 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide is sourced from PubChem (CID 60641561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).