3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide

C24H36N4O5 — CID 138993226

IUPAC3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)NCc2cccc(C(=O)NCC3CCCO3)c2)C1
InChIInChI=1S/C24H36N4O5/c1-17-8-9-20(23(30)25-10-12-32-2)16-28(17)24(31)27-14-18-5-3-6-19(13-18)22(29)26-15-21-7-4-11-33-21/h3,5-6,13,17,20-21H,4,7-12,14-16H2,1-2H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyFUEYIFCHZDWHJZ-UHFFFAOYSA-N
MW460.58 g/mol
LogP1.67
Rot. Bonds9

About 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide

3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide (PubChem CID 138993226) has the molecular formula C24H36N4O5 and a molecular weight of 460.58 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide
PubChem CID138993226
Molecular FormulaC24H36N4O5
Molecular Weight460.58 g/mol
Exact Mass460.27
IUPAC Name3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide
SMILESCOCCNC(=O)C1CCC(C)N(C(=O)NCc2cccc(C(=O)NCC3CCCO3)c2)C1
InChIInChI=1S/C24H36N4O5/c1-17-8-9-20(23(30)25-10-12-32-2)16-28(17)24(31)27-14-18-5-3-6-19(13-18)22(29)26-15-21-7-4-11-33-21/h3,5-6,13,17,20-21H,4,7-12,14-16H2,1-2H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyFUEYIFCHZDWHJZ-UHFFFAOYSA-N
XLogP1.67
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide 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

3-[[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 110973665
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 94816645
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94816644
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119305142
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 120590388
3-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 111144242
3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751881
3-[(4-aminopentanoylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120561368
3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide (CID 138993226) is 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide is COCCNC(=O)C1CCC(C)N(C(=O)NCc2cccc(C(=O)NCC3CCCO3)c2)C1.
What is the InChIKey of 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
The InChIKey is FUEYIFCHZDWHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O5/c1-17-8-9-20(23(30)25-10-12-32-2)16-28(17)24(31)27-14-18-5-3-6-19(13-18)22(29)26-15-21-7-4-11-33-21/h3,5-6,13,17,20-21H,4,7-12,14-16H2,1-2H3,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide?
3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide has a molecular weight of 460.58 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-6-methyl-1-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 138993226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).