3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

C16H24IN2O+ — CID 7332918

IUPAC3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2cccc(I)c2)CC(C)(C)[NH2+]1
InChIInChI=1S/C16H23IN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-6-5-7-12(17)8-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20)/p+1
InChIKeyNGSWWZHVTKLKOT-UHFFFAOYSA-O
MW387.29 g/mol
LogP2.30
Rot. Bonds2

About 3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide (PubChem CID 7332918) has the molecular formula C16H24IN2O+ and a molecular weight of 387.29 g/mol. Its IUPAC name is 3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
PubChem CID7332918
Molecular FormulaC16H24IN2O+
Molecular Weight387.29 g/mol
Exact Mass387.09
IUPAC Name3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2cccc(I)c2)CC(C)(C)[NH2+]1
InChIInChI=1S/C16H23IN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-6-5-7-12(17)8-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20)/p+1
InChIKeyNGSWWZHVTKLKOT-UHFFFAOYSA-O
XLogP2.30
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 5065977
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzodioxole-5-carboxamide
CID 4093721
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
CID 133203842
N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide
CID 103864238
3-iodo-N-(2-propylcyclopropyl)benzamide
CID 103713511
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422680

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide?
The IUPAC name of 3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide (CID 7332918) is 3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide.
What is the SMILES notation for 3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide?
The canonical SMILES for 3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide is CC1(C)CC(NC(=O)c2cccc(I)c2)CC(C)(C)[NH2+]1.
What is the InChIKey of 3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide?
The InChIKey is NGSWWZHVTKLKOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23IN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-6-5-7-12(17)8-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20)/p+1.
What are the key properties of 3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide?
3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide has a molecular weight of 387.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide is sourced from PubChem (CID 7332918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).