2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide

C16H24N3O2+ — CID 8540741

IUPAC2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
SMILESC[C@H]1C[C@H](C)C[NH+](CC(=O)NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12-8-13(2)10-19(9-12)11-15(20)18-16(21)17-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,17,18,20,21)/p+1/t12-,13-/m0/s1
InChIKeyYYLAUBZWHDAVPM-STQMWFEESA-O
MW290.39 g/mol
LogP0.90
Rot. Bonds3

About 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide

2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide (PubChem CID 8540741) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
PubChem CID8540741
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
SMILESC[C@H]1C[C@H](C)C[NH+](CC(=O)NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12-8-13(2)10-19(9-12)11-15(20)18-16(21)17-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,17,18,20,21)/p+1/t12-,13-/m0/s1
InChIKeyYYLAUBZWHDAVPM-STQMWFEESA-O
XLogP0.90
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540748
N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide
CID 8904662
3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide
CID 7460108
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540742
N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 7406184
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930079
N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930273
N-[4-(difluoromethoxy)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930997
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8930682
2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 5084841
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 8541550
3-oxo-N-(phenylcarbamoyl)butanamide
CID 10466039

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide (CID 8540741) is 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide is C[C@H]1C[C@H](C)C[NH+](CC(=O)NC(=O)Nc2ccccc2)C1.
What is the InChIKey of 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide?
The InChIKey is YYLAUBZWHDAVPM-STQMWFEESA-O. The full InChI is InChI=1S/C16H23N3O2/c1-12-8-13(2)10-19(9-12)11-15(20)18-16(21)17-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,17,18,20,21)/p+1/t12-,13-/m0/s1.
What are the key properties of 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide?
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 8540741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).