N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride

C20H35Cl2N3O2 — CID 119900615

IUPACN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride
SMILESCOCCNCC(=O)N(C)C1C(C)CN(Cc2ccccc2)CC1C.Cl.Cl
InChIInChI=1S/C20H33N3O2.2ClH/c1-16-13-23(15-18-8-6-5-7-9-18)14-17(2)20(16)22(3)19(24)12-21-10-11-25-4;;/h5-9,16-17,20-21H,10-15H2,1-4H3;2*1H
InChIKeyUWXXYOOYCPQXLD-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.68
Rot. Bonds8

About N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride

N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride (PubChem CID 119900615) has the molecular formula C20H35Cl2N3O2 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride
PubChem CID119900615
Molecular FormulaC20H35Cl2N3O2
Molecular Weight420.43 g/mol
Exact Mass419.21
IUPAC NameN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride
SMILESCOCCNCC(=O)N(C)C1C(C)CN(Cc2ccccc2)CC1C.Cl.Cl
InChIInChI=1S/C20H33N3O2.2ClH/c1-16-13-23(15-18-8-6-5-7-9-18)14-17(2)20(16)22(3)19(24)12-21-10-11-25-4;;/h5-9,16-17,20-21H,10-15H2,1-4H3;2*1H
InChIKeyUWXXYOOYCPQXLD-UHFFFAOYSA-N
XLogP2.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylheptanamide;dihydrochloride
CID 119900575
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827623
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
CID 119900601
N-benzyl-N-cyclopropyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119703228
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 119776472
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119895540
(2R)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-(carbamoylamino)-N-methylpropanamide
CID 97092735
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119872768
1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119399445
2-(2-methoxyethylamino)-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776473
N-benzyl-N-(1-cyclopropylethyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119679054
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride?
The IUPAC name of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride (CID 119900615) is N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride is COCCNCC(=O)N(C)C1C(C)CN(Cc2ccccc2)CC1C.Cl.Cl.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride?
The InChIKey is UWXXYOOYCPQXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.2ClH/c1-16-13-23(15-18-8-6-5-7-9-18)14-17(2)20(16)22(3)19(24)12-21-10-11-25-4;;/h5-9,16-17,20-21H,10-15H2,1-4H3;2*1H.
What are the key properties of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride?
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride has a molecular weight of 420.43 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-(2-methoxyethylamino)-N-methylacetamide;dihydrochloride is sourced from PubChem (CID 119900615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).