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

C16H20Cl3N3O2 — CID 48938107

IUPACN-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C16H20Cl3N3O2/c1-2-20-16(24)10-4-3-5-22(8-10)9-15(23)21-14-7-12(18)11(17)6-13(14)19/h6-7,10H,2-5,8-9H2,1H3,(H,20,24)(H,21,23)
InChIKeyKQSDEHFBMOLOIV-UHFFFAOYSA-N
MW392.71 g/mol
LogP3.43
Rot. Bonds5

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

N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide (PubChem CID 48938107) has the molecular formula C16H20Cl3N3O2 and a molecular weight of 392.71 g/mol. Its IUPAC name is N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide
PubChem CID48938107
Molecular FormulaC16H20Cl3N3O2
Molecular Weight392.71 g/mol
Exact Mass391.06
IUPAC NameN-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1
InChIInChI=1S/C16H20Cl3N3O2/c1-2-20-16(24)10-4-3-5-22(8-10)9-15(23)21-14-7-12(18)11(17)6-13(14)19/h6-7,10H,2-5,8-9H2,1H3,(H,20,24)(H,21,23)
InChIKeyKQSDEHFBMOLOIV-UHFFFAOYSA-N
XLogP3.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.71
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119925484
1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 17276248
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
2-[(3S)-3-methylpiperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 104977240
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-ethylpiperidine-3-carboxamide
CID 48937237
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119905192
1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxylic acid
CID 119907939
N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
CID 55988482
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119920610
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100
N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584042

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide (CID 48938107) is N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide is CCNC(=O)C1CCCN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1.
What is the InChIKey of N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide?
The InChIKey is KQSDEHFBMOLOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl3N3O2/c1-2-20-16(24)10-4-3-5-22(8-10)9-15(23)21-14-7-12(18)11(17)6-13(14)19/h6-7,10H,2-5,8-9H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide?
N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide has a molecular weight of 392.71 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 48938107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).