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

C17H23Cl2N3O3 — CID 16909918

IUPAC1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H23Cl2N3O3/c1-25-9-6-20-17(24)12-4-7-22(8-5-12)11-16(23)21-13-2-3-14(18)15(19)10-13/h2-3,10,12H,4-9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyRKTLVVPTXTVUNR-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.41
Rot. Bonds7

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

1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 16909918) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID16909918
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC Name1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H23Cl2N3O3/c1-25-9-6-20-17(24)12-4-7-22(8-5-12)11-16(23)21-13-2-3-14(18)15(19)10-13/h2-3,10,12H,4-9,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyRKTLVVPTXTVUNR-UHFFFAOYSA-N
XLogP2.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.41
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-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909325
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16909938
N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909933
N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
CID 55988482
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55988353
N-(3-chloro-4-methylphenyl)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909629
N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909920
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 16909550
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731413

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 16909918) is 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is RKTLVVPTXTVUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3/c1-25-9-6-20-17(24)12-4-7-22(8-5-12)11-16(23)21-13-2-3-14(18)15(19)10-13/h2-3,10,12H,4-9,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 388.30 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).