1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C19H29N3O3 — CID 16909325

IUPAC1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(CC(=O)Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C19H29N3O3/c1-14-10-15(2)12-17(11-14)21-18(23)13-22-7-4-16(5-8-22)19(24)20-6-9-25-3/h10-12,16H,4-9,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyHWJFWHGIWOARLW-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.72
Rot. Bonds7

About 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 16909325) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID16909325
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(CC(=O)Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C19H29N3O3/c1-14-10-15(2)12-17(11-14)21-18(23)13-22-7-4-16(5-8-22)19(24)20-6-9-25-3/h10-12,16H,4-9,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyHWJFWHGIWOARLW-UHFFFAOYSA-N
XLogP1.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
N-cyclopentyl-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909326
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
CID 55988482
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 16909376
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86865505
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
N-(5-chloro-2-methoxyphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909398
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55989659
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide
CID 108943141
N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16809626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 16909325) is 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(CC(=O)Nc2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is HWJFWHGIWOARLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-10-15(2)12-17(11-14)21-18(23)13-22-7-4-16(5-8-22)19(24)20-6-9-25-3/h10-12,16H,4-9,13H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).