1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C18H25Cl2N3O3 — CID 55988353

IUPAC1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H25Cl2N3O3/c1-26-10-2-7-21-18(25)13-5-8-23(9-6-13)12-17(24)22-16-11-14(19)3-4-15(16)20/h3-4,11,13H,2,5-10,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyXAVODSXPZOMPGR-UHFFFAOYSA-N
MW402.32 g/mol
LogP2.80
Rot. Bonds8

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

1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 55988353) has the molecular formula C18H25Cl2N3O3 and a molecular weight of 402.32 g/mol. Its IUPAC name is 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID55988353
Molecular FormulaC18H25Cl2N3O3
Molecular Weight402.32 g/mol
Exact Mass401.13
IUPAC Name1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H25Cl2N3O3/c1-26-10-2-7-21-18(25)13-5-8-23(9-6-13)12-17(24)22-16-11-14(19)3-4-15(16)20/h3-4,11,13H,2,5-10,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyXAVODSXPZOMPGR-UHFFFAOYSA-N
XLogP2.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 52.80
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

N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
CID 55988482
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 99826884
1-(2,5-dichlorophenyl)sulfonyl-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 2187606
N-(2,5-dichlorophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922555
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
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55989659
2-(4-cyanopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 48940747
N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55663286

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 55988353) is 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is XAVODSXPZOMPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O3/c1-26-10-2-7-21-18(25)13-5-8-23(9-6-13)12-17(24)22-16-11-14(19)3-4-15(16)20/h3-4,11,13H,2,5-10,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 402.32 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55988353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).