2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide

C19H21IN2O2S — CID 71007326

IUPAC2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide
SMILESCC(=O)N1CCC(CC(=O)Nc2cc(-c3cccs3)ccc2I)CC1
InChIInChI=1S/C19H21IN2O2S/c1-13(23)22-8-6-14(7-9-22)11-19(24)21-17-12-15(4-5-16(17)20)18-3-2-10-25-18/h2-5,10,12,14H,6-9,11H2,1H3,(H,21,24)
InChIKeyOSVLCLRJVCAJGB-UHFFFAOYSA-N
MW468.36 g/mol
LogP4.61
Rot. Bonds4

About 2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide

2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide (PubChem CID 71007326) has the molecular formula C19H21IN2O2S and a molecular weight of 468.36 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide
PubChem CID71007326
Molecular FormulaC19H21IN2O2S
Molecular Weight468.36 g/mol
Exact Mass468.04
IUPAC Name2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide
SMILESCC(=O)N1CCC(CC(=O)Nc2cc(-c3cccs3)ccc2I)CC1
InChIInChI=1S/C19H21IN2O2S/c1-13(23)22-8-6-14(7-9-22)11-19(24)21-17-12-15(4-5-16(17)20)18-3-2-10-25-18/h2-5,10,12,14H,6-9,11H2,1H3,(H,21,24)
InChIKeyOSVLCLRJVCAJGB-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide (CID 71007326) is 2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide is CC(=O)N1CCC(CC(=O)Nc2cc(-c3cccs3)ccc2I)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide?
The InChIKey is OSVLCLRJVCAJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN2O2S/c1-13(23)22-8-6-14(7-9-22)11-19(24)21-17-12-15(4-5-16(17)20)18-3-2-10-25-18/h2-5,10,12,14H,6-9,11H2,1H3,(H,21,24).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide?
2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide has a molecular weight of 468.36 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-N-(2-iodo-5-thiophen-2-ylphenyl)acetamide is sourced from PubChem (CID 71007326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).