N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide

C16H24ClN2O+ — CID 8930223

IUPACN-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O/c1-12-7-13(2)10-19(9-12)11-16(20)18-8-14-3-5-15(17)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)/p+1/t12-,13-/m1/s1
InChIKeySNKAHQFFCQFZRX-CHWSQXEVSA-O
MW295.83 g/mol
LogP1.52
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8930223) has the molecular formula C16H24ClN2O+ and a molecular weight of 295.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
PubChem CID8930223
Molecular FormulaC16H24ClN2O+
Molecular Weight295.83 g/mol
Exact Mass295.16
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O/c1-12-7-13(2)10-19(9-12)11-16(20)18-8-14-3-5-15(17)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)/p+1/t12-,13-/m1/s1
InChIKeySNKAHQFFCQFZRX-CHWSQXEVSA-O
XLogP1.52
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 8541939
N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8542721
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 8930404
N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8540767
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2576005
cis-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2080889
N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8544027
N-[(4-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2654793
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 2608362
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide (CID 8930223) is N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide is C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is SNKAHQFFCQFZRX-CHWSQXEVSA-O. The full InChI is InChI=1S/C16H23ClN2O/c1-12-7-13(2)10-19(9-12)11-16(20)18-8-14-3-5-15(17)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)/p+1/t12-,13-/m1/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 295.83 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8930223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).