N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride

C17H28ClN2O- — CID 21236481

IUPACN-(1-adamantyl)-2-piperidin-1-ylacetamide chloride
SMILESO=C(CN1CCCCC1)NC12CC3CC(CC(C3)C1)C2.[Cl-]
InChIInChI=1S/C17H28N2O.ClH/c20-16(12-19-4-2-1-3-5-19)18-17-9-13-6-14(10-17)8-15(7-13)11-17;/h13-15H,1-12H2,(H,18,20);1H/p-1
InChIKeyKGIYOVKOYLUGCC-UHFFFAOYSA-M
MW311.88 g/mol
LogP-0.44
Rot. Bonds3

About N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride

N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride (PubChem CID 21236481) has the molecular formula C17H28ClN2O- and a molecular weight of 311.88 g/mol. Its IUPAC name is N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride.

Molecular Properties

Compound NameN-(1-adamantyl)-2-piperidin-1-ylacetamide chloride
PubChem CID21236481
Molecular FormulaC17H28ClN2O-
Molecular Weight311.88 g/mol
Exact Mass311.19
IUPAC NameN-(1-adamantyl)-2-piperidin-1-ylacetamide chloride
SMILESO=C(CN1CCCCC1)NC12CC3CC(CC(C3)C1)C2.[Cl-]
InChIInChI=1S/C17H28N2O.ClH/c20-16(12-19-4-2-1-3-5-19)18-17-9-13-6-14(10-17)8-15(7-13)11-17;/h13-15H,1-12H2,(H,18,20);1H/p-1
InChIKeyKGIYOVKOYLUGCC-UHFFFAOYSA-M
XLogP-0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 11601752
N-(1-adamantyl)-2-(4-methylpiperazin-1-yl)acetamide;oxalic acid
CID 171669478
N-(1-adamantyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930212
N-(1-adamantyl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223452
N-(1-adamantyl)-2-cyclohexylacetamide
CID 23739251
1-[2-(1-adamantylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502485
N-(1-adamantyl)-2-cyclohexylsulfanylacetamide
CID 8705689
N,2-bis(1-adamantyl)acetamide
CID 3906383
N-(1-adamantyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
CID 42923571
N-(1-adamantyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9288391
N-(1-adamantyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795070
N-(1-adamantyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014763

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride?
The IUPAC name of N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride (CID 21236481) is N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride.
What is the SMILES notation for N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride?
The canonical SMILES for N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride is O=C(CN1CCCCC1)NC12CC3CC(CC(C3)C1)C2.[Cl-].
What is the InChIKey of N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride?
The InChIKey is KGIYOVKOYLUGCC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H28N2O.ClH/c20-16(12-19-4-2-1-3-5-19)18-17-9-13-6-14(10-17)8-15(7-13)11-17;/h13-15H,1-12H2,(H,18,20);1H/p-1.
What are the key properties of N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride?
N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride has a molecular weight of 311.88 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride is sourced from PubChem (CID 21236481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).