N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

C16H22N2O2 — CID 47336445

IUPACN-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N2CCCCC2C)c1
InChIInChI=1S/C16H22N2O2/c1-11-7-8-12(2)14(10-11)17-15(19)16(20)18-9-5-4-6-13(18)3/h7-8,10,13H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyPXZHVTVDSOSXFS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.64
Rot. Bonds1

About N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide

N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 47336445) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID47336445
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1ccc(C)c(NC(=O)C(=O)N2CCCCC2C)c1
InChIInChI=1S/C16H22N2O2/c1-11-7-8-12(2)14(10-11)17-15(19)16(20)18-9-5-4-6-13(18)3/h7-8,10,13H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyPXZHVTVDSOSXFS-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523458
N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
2-[(4aR,8aR)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-N-(2,5-dimethylphenyl)-2-oxoacetamide
CID 129380570
2-(2-methylpiperidin-1-yl)-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382926
2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
dimethyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108523341
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874
N-(2-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523411
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
cyclohexyl N-(2,5-dimethylphenyl)carbamate
CID 3262624
N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide
CID 124846510

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (CID 47336445) is N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is Cc1ccc(C)c(NC(=O)C(=O)N2CCCCC2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is PXZHVTVDSOSXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-7-8-12(2)14(10-11)17-15(19)16(20)18-9-5-4-6-13(18)3/h7-8,10,13H,4-6,9H2,1-3H3,(H,17,19).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 47336445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).