1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide

C17H23Cl2N3O3 — CID 24748561

IUPAC1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O3/c1-25-9-6-20-16(23)12-4-7-22(8-5-12)17(24)21-11-13-2-3-14(18)10-15(13)19/h2-3,10,12H,4-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyWYLAQDAPXYKYBC-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.68
Rot. Bonds6

About 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide

1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide (PubChem CID 24748561) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
PubChem CID24748561
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC Name1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
SMILESCOCCNC(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O3/c1-25-9-6-20-16(23)12-4-7-22(8-5-12)17(24)21-11-13-2-3-14(18)10-15(13)19/h2-3,10,12H,4-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyWYLAQDAPXYKYBC-UHFFFAOYSA-N
XLogP2.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-Dichlorobenzylcarbamoyl)piperidine-4-carboxylic acid
CID 24748473
N1-(2,4-dichlorobenzyl)-N4-(2-(tetrahydro-2H-pyran-4-yl)ethyl)piperidine-1,4-dicarboxamide
CID 24748515
N1-(2,4-dichlorobenzyl)-N4-(2-(pyrrolidin-1-yl)ethyl)piperidine-1,4-dicarboxamide
CID 24748516
N1-(2,4-dichlorobenzyl)-N4-(2-(methylsulfonyl)ethyl)piperidine-1,4-dicarboxamide
CID 24748557
N1-(2,4-dichlorobenzyl)-N4-(tetrahydro-2H-pyran-4-yl)piperidine-1,4-dicarboxamide
CID 24748562
N-(2,4-dichlorobenzyl)-1-(2-ethoxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 45487786
N1-(2,4-dichlorobenzyl)piperidine-1,4-dicarboxamide
CID 46224990
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829
N~4~-(2-chloro-4-fluorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3242928
N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9246546
1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 44528938
1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 44528940

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide (CID 24748561) is 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide is COCCNC(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide?
The InChIKey is WYLAQDAPXYKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3/c1-25-9-6-20-16(23)12-4-7-22(8-5-12)17(24)21-11-13-2-3-14(18)10-15(13)19/h2-3,10,12H,4-9,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide?
1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide has a molecular weight of 388.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 24748561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).