N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide

C18H24Cl3N3O3 — CID 55988482

IUPACN-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C18H24Cl3N3O3/c1-27-8-2-5-22-18(26)12-3-6-24(7-4-12)11-17(25)23-16-10-14(20)13(19)9-15(16)21/h9-10,12H,2-8,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyFCLHQRKNYJAPNI-UHFFFAOYSA-N
MW436.77 g/mol
LogP3.45
Rot. Bonds8

About N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide

N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide (PubChem CID 55988482) has the molecular formula C18H24Cl3N3O3 and a molecular weight of 436.77 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
PubChem CID55988482
Molecular FormulaC18H24Cl3N3O3
Molecular Weight436.77 g/mol
Exact Mass435.09
IUPAC NameN-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C18H24Cl3N3O3/c1-27-8-2-5-22-18(26)12-3-6-24(7-4-12)11-17(25)23-16-10-14(20)13(19)9-15(16)21/h9-10,12H,2-8,11H2,1H3,(H,22,26)(H,23,25)
InChIKeyFCLHQRKNYJAPNI-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.77
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxylic acid
CID 119907939
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909325
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55911947
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55989659
N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55663286
N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide
CID 48938107
N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902359
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 99826884
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119920610

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide (CID 55988482) is N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide is COCCCNC(=O)C1CCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is FCLHQRKNYJAPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl3N3O3/c1-27-8-2-5-22-18(26)12-3-6-24(7-4-12)11-17(25)23-16-10-14(20)13(19)9-15(16)21/h9-10,12H,2-8,11H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 436.77 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55988482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).