N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide

C17H25N3O2 — CID 108507216

IUPACN-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-4-13-5-7-14(8-6-13)18-16(21)17(22)20(3)15-9-11-19(2)12-10-15/h5-8,15H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyCJEJTRVYGSHTQY-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.74
Rot. Bonds3

About N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide

N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide (PubChem CID 108507216) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
PubChem CID108507216
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-4-13-5-7-14(8-6-13)18-16(21)17(22)20(3)15-9-11-19(2)12-10-15/h5-8,15H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyCJEJTRVYGSHTQY-UHFFFAOYSA-N
XLogP1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.74
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-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507170
N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507327
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
CID 108505781
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718
N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108505387
N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 5154545
N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507306
5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 112834235
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
2-(2,6-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)-2-oxoacetamide
CID 108522285
N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108506051
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 30642863

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The IUPAC name of N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide (CID 108507216) is N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The canonical SMILES for N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide is CCc1ccc(NC(=O)C(=O)N(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The InChIKey is CJEJTRVYGSHTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-13-5-7-14(8-6-13)18-16(21)17(22)20(3)15-9-11-19(2)12-10-15/h5-8,15H,4,9-12H2,1-3H3,(H,18,21).
What are the key properties of N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide has a molecular weight of 303.41 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108507216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).