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

C18H26N2O2 — CID 108520654

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide
SMILESCCN(C(=O)C(=O)N1CC(C)CC(C)C1)c1cccc(C)c1
InChIInChI=1S/C18H26N2O2/c1-5-20(16-8-6-7-13(2)10-16)18(22)17(21)19-11-14(3)9-15(4)12-19/h6-8,10,14-15H,5,9,11-12H2,1-4H3
InChIKeyILKOLVOJLZFONP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.85
Rot. Bonds2

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

2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide (PubChem CID 108520654) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide
PubChem CID108520654
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide
SMILESCCN(C(=O)C(=O)N1CC(C)CC(C)C1)c1cccc(C)c1
InChIInChI=1S/C18H26N2O2/c1-5-20(16-8-6-7-13(2)10-16)18(22)17(21)19-11-14(3)9-15(4)12-19/h6-8,10,14-15H,5,9,11-12H2,1-4H3
InChIKeyILKOLVOJLZFONP-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507557
N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 108988562
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N'-ethyl-N-methyl-N'-(3-methylphenyl)-N-(1-methylpiperidin-4-yl)oxamide
CID 108507347
N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056588
N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108944667
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108520633
N-cyclohexyl-N'-ethyl-N-methyl-N'-(3-methylphenyl)oxamide
CID 108503849
2-(3,5-dimethylpiperidin-1-yl)-N,N-diethyl-2-oxoacetamide
CID 108520560
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108961312
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide (CID 108520654) is 2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide is CCN(C(=O)C(=O)N1CC(C)CC(C)C1)c1cccc(C)c1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide?
The InChIKey is ILKOLVOJLZFONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-20(16-8-6-7-13(2)10-16)18(22)17(21)19-11-14(3)9-15(4)12-19/h6-8,10,14-15H,5,9,11-12H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide?
2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide has a molecular weight of 302.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-N-ethyl-N-(3-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 108520654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).