2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide

C21H36N2O2 — CID 46999032

IUPAC2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCOCCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCN(C)CC1
InChIInChI=1S/C21H36N2O2/c1-22-5-3-19(4-6-22)23(7-8-25-2)20(24)15-21-12-16-9-17(13-21)11-18(10-16)14-21/h16-19H,3-15H2,1-2H3
InChIKeyUWHLLRZILSXJSX-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.16
Rot. Bonds6

About 2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide

2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 46999032) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID46999032
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCOCCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCN(C)CC1
InChIInChI=1S/C21H36N2O2/c1-22-5-3-19(4-6-22)23(7-8-25-2)20(24)15-21-12-16-9-17(13-21)11-18(10-16)14-21/h16-19H,3-15H2,1-2H3
InChIKeyUWHLLRZILSXJSX-UHFFFAOYSA-N
XLogP3.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide (CID 46999032) is 2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide is COCCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CCN(C)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is UWHLLRZILSXJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c1-22-5-3-19(4-6-22)23(7-8-25-2)20(24)15-21-12-16-9-17(13-21)11-18(10-16)14-21/h16-19H,3-15H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 348.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 46999032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).