N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

C17H22N2O3 — CID 108514940

IUPACN-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H22N2O3/c1-11-7-12(2)10-19(9-11)17(22)16(21)18-15-6-4-5-14(8-15)13(3)20/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,18,21)
InChIKeyXOOICEUEMIWRIL-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.33
Rot. Bonds2

About N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108514940) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108514940
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)N2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H22N2O3/c1-11-7-12(2)10-19(9-11)17(22)16(21)18-15-6-4-5-14(8-15)13(3)20/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,18,21)
InChIKeyXOOICEUEMIWRIL-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 75461854
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515042
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108501193
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(2,3-dichlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108500745
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
2-[(1S,6R)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-N-(3-nitrophenyl)-2-oxoacetamide
CID 100763639
N-(3-acetylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930165

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108514940) is N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is CC(=O)c1cccc(NC(=O)C(=O)N2CC(C)CC(C)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is XOOICEUEMIWRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-7-12(2)10-19(9-11)17(22)16(21)18-15-6-4-5-14(8-15)13(3)20/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 302.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108514940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).