2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide

C21H36N2O3 — CID 131911363

IUPAC2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide
SMILESCOCCN1CCCC(CNC(=O)CC23CC4CC(CC(O)(C4)C2)C3)C1
InChIInChI=1S/C21H36N2O3/c1-26-6-5-23-4-2-3-16(14-23)13-22-19(24)12-20-8-17-7-18(9-20)11-21(25,10-17)15-20/h16-18,25H,2-15H2,1H3,(H,22,24)
InChIKeyUOHXUFSRIAPUNX-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.18
Rot. Bonds7

About 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide

2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide (PubChem CID 131911363) has the molecular formula C21H36N2O3 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide
PubChem CID131911363
Molecular FormulaC21H36N2O3
Molecular Weight364.53 g/mol
Exact Mass364.27
IUPAC Name2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide
SMILESCOCCN1CCCC(CNC(=O)CC23CC4CC(CC(O)(C4)C2)C3)C1
InChIInChI=1S/C21H36N2O3/c1-26-6-5-23-4-2-3-16(14-23)13-22-19(24)12-20-8-17-7-18(9-20)11-21(25,10-17)15-20/h16-18,25H,2-15H2,1H3,(H,22,24)
InChIKeyUOHXUFSRIAPUNX-UHFFFAOYSA-N
XLogP2.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide 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-cyclobutyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 131900683
2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid
CID 154907400
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
2-(1-hydroxycyclopentyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 111430877
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61206248
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
CID 63388660
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-prop-2-enylacetamide
CID 9207685
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24550355

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide (CID 131911363) is 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide is COCCN1CCCC(CNC(=O)CC23CC4CC(CC(O)(C4)C2)C3)C1.
What is the InChIKey of 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is UOHXUFSRIAPUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3/c1-26-6-5-23-4-2-3-16(14-23)13-22-19(24)12-20-8-17-7-18(9-20)11-21(25,10-17)15-20/h16-18,25H,2-15H2,1H3,(H,22,24).
What are the key properties of 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide?
2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 364.53 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 131911363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).