2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium

C24H37N2O2Y+ — CID 159372449

IUPAC2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium
SMILESCC[N+]1(CC(=O)Nc2c(C)cccc2C)CCCC(C(=O)CC2CCCC2)C1.[Y]
InChIInChI=1S/C24H36N2O2.Y/c1-4-26(17-23(28)25-24-18(2)9-7-10-19(24)3)14-8-13-21(16-26)22(27)15-20-11-5-6-12-20;/h7,9-10,20-21H,4-6,8,11-17H2,1-3H3;/p+1
InChIKeyACRAAZGNFXXEJF-UHFFFAOYSA-O
MW474.48 g/mol
LogP4.64
Rot. Bonds7

About 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium

2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium (PubChem CID 159372449) has the molecular formula C24H37N2O2Y+ and a molecular weight of 474.48 g/mol. Its IUPAC name is 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium.

Molecular Properties

Compound Name2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium
PubChem CID159372449
Molecular FormulaC24H37N2O2Y+
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium
SMILESCC[N+]1(CC(=O)Nc2c(C)cccc2C)CCCC(C(=O)CC2CCCC2)C1.[Y]
InChIInChI=1S/C24H36N2O2.Y/c1-4-26(17-23(28)25-24-18(2)9-7-10-19(24)3)14-8-13-21(16-26)22(27)15-20-11-5-6-12-20;/h7,9-10,20-21H,4-6,8,11-17H2,1-3H3;/p+1
InChIKeyACRAAZGNFXXEJF-UHFFFAOYSA-O
XLogP4.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,N-dimethylpiperidin-1-ium-3-carboxamide;yttrium
CID 157330294
1-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,N,1-triethylpiperidin-1-ium-3-carboxamide;yttrium
CID 162138502
1-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N-propylpiperidin-1-ium-3-carboxamide;yttrium
CID 159634516
N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)acetamide
CID 155101169
2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpiperidin-1-ium-1-yl]acetamide
CID 155615700
2-(1-benzyl-3-phenylazepan-1-ium-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 155615730
N-(2,6-dimethylphenyl)-2-(1-ethyl-4-pyridin-2-ylpiperidin-1-ium-1-yl)acetamide
CID 155615737
1-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methylpropyl)piperidin-1-ium-3-carboxamide bromide
CID 157157083
2-[1-benzyl-3-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;2,2,2-trifluoroacetate
CID 159532342
2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide
CID 54786283
[1-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidin-1-ium-3-yl] propanoate bromide
CID 155100276
propyl 1-[3-(2,6-dimethylphenyl)-2-oxopropyl]-1-ethylpiperidin-1-ium-3-carboxylate;yttrium
CID 160556912

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium?
The IUPAC name of 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium (CID 159372449) is 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium.
What is the SMILES notation for 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium?
The canonical SMILES for 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium is CC[N+]1(CC(=O)Nc2c(C)cccc2C)CCCC(C(=O)CC2CCCC2)C1.[Y].
What is the InChIKey of 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium?
The InChIKey is ACRAAZGNFXXEJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H36N2O2.Y/c1-4-26(17-23(28)25-24-18(2)9-7-10-19(24)3)14-8-13-21(16-26)22(27)15-20-11-5-6-12-20;/h7,9-10,20-21H,4-6,8,11-17H2,1-3H3;/p+1.
What are the key properties of 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium?
2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium has a molecular weight of 474.48 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclopentylacetyl)-1-ethylpiperidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide;yttrium is sourced from PubChem (CID 159372449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).