N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide

C26H37N3O2 — CID 108509213

IUPACN'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide
SMILESCC(NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H37N3O2/c1-18(26-14-20-11-21(15-26)13-22(12-20)16-26)27-24(30)25(31)28-23-7-9-29(10-8-23)17-19-5-3-2-4-6-19/h2-6,18,20-23H,7-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyDXACNZBNELPEQF-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.49
Rot. Bonds5

About N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide

N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide (PubChem CID 108509213) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide
PubChem CID108509213
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC NameN'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide
SMILESCC(NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H37N3O2/c1-18(26-14-20-11-21(15-26)13-22(12-20)16-26)27-24(30)25(31)28-23-7-9-29(10-8-23)17-19-5-3-2-4-6-19/h2-6,18,20-23H,7-17H2,1H3,(H,27,30)(H,28,31)
InChIKeyDXACNZBNELPEQF-UHFFFAOYSA-N
XLogP3.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(1-adamantyl)ethyl]-N-cyclohexyloxamide
CID 108504332
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519242
N-[(2R)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 39910717
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide
CID 108509082
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide?
The IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide (CID 108509213) is N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide is CC(NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide?
The InChIKey is DXACNZBNELPEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-18(26-14-20-11-21(15-26)13-22(12-20)16-26)27-24(30)25(31)28-23-7-9-29(10-8-23)17-19-5-3-2-4-6-19/h2-6,18,20-23H,7-17H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide?
N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide has a molecular weight of 423.60 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-adamantyl)ethyl]-N-(1-benzylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108509213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).