2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

C17H26ClN2O+ — CID 7236739

IUPAC2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cc2ccc(Cl)cc2)CC(C)(C)[NH2+]1
InChIInChI=1S/C17H25ClN2O/c1-16(2)10-14(11-17(3,4)20-16)19-15(21)9-12-5-7-13(18)8-6-12/h5-8,14,20H,9-11H2,1-4H3,(H,19,21)/p+1
InChIKeyZBAIITAIOKOLGT-UHFFFAOYSA-O
MW309.86 g/mol
LogP2.28
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide (PubChem CID 7236739) has the molecular formula C17H26ClN2O+ and a molecular weight of 309.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
PubChem CID7236739
Molecular FormulaC17H26ClN2O+
Molecular Weight309.86 g/mol
Exact Mass309.17
IUPAC Name2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cc2ccc(Cl)cc2)CC(C)(C)[NH2+]1
InChIInChI=1S/C17H25ClN2O/c1-16(2)10-14(11-17(3,4)20-16)19-15(21)9-12-5-7-13(18)8-6-12/h5-8,14,20H,9-11H2,1-4H3,(H,19,21)/p+1
InChIKeyZBAIITAIOKOLGT-UHFFFAOYSA-O
XLogP2.28
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 5065977
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 4085984
2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide
CID 95368466
N'-(2-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
1-[(4-chlorophenyl)methyl]-3-(6-methylspiro[3.3]heptan-2-yl)urea
CID 170378931
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide (CID 7236739) is 2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide is CC1(C)CC(NC(=O)Cc2ccc(Cl)cc2)CC(C)(C)[NH2+]1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The InChIKey is ZBAIITAIOKOLGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25ClN2O/c1-16(2)10-14(11-17(3,4)20-16)19-15(21)9-12-5-7-13(18)8-6-12/h5-8,14,20H,9-11H2,1-4H3,(H,19,21)/p+1.
What are the key properties of 2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide has a molecular weight of 309.86 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide is sourced from PubChem (CID 7236739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).