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

C16H24ClN2O+ — CID 5065977

IUPAC4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cl)cc2)CC(C)(C)[NH2+]1
InChIInChI=1S/C16H23ClN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-5-7-12(17)8-6-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20)/p+1
InChIKeySIIKKHDJGKKTKT-UHFFFAOYSA-O
MW295.83 g/mol
LogP2.35
Rot. Bonds2

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

4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide (PubChem CID 5065977) has the molecular formula C16H24ClN2O+ and a molecular weight of 295.83 g/mol. Its IUPAC name is 4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
PubChem CID5065977
Molecular FormulaC16H24ClN2O+
Molecular Weight295.83 g/mol
Exact Mass295.16
IUPAC Name4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cl)cc2)CC(C)(C)[NH2+]1
InChIInChI=1S/C16H23ClN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-5-7-12(17)8-6-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20)/p+1
InChIKeySIIKKHDJGKKTKT-UHFFFAOYSA-O
XLogP2.35
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7236739
4-chloro-N-(3,3-dimethylcyclopentyl)benzamide
CID 91506548
3-iodo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 7332918
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzodioxole-5-carboxamide
CID 4093721
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
CID 79710945
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 4257482
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chlorobenzamide
CID 18133860

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide (CID 5065977) is 4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Cl)cc2)CC(C)(C)[NH2+]1.
What is the InChIKey of 4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide?
The InChIKey is SIIKKHDJGKKTKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23ClN2O/c1-15(2)9-13(10-16(3,4)19-15)18-14(20)11-5-7-12(17)8-6-11/h5-8,13,19H,9-10H2,1-4H3,(H,18,20)/p+1.
What are the key properties of 4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide?
4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide has a molecular weight of 295.83 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide is sourced from PubChem (CID 5065977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).