N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide

C11H22N2O — CID 131858364

IUPACN-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])(NC(C)=O)C1([2H])[2H]
InChIInChI=1S/C11H22N2O/c1-8(14)12-9-6-10(2,3)13-11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)/i2D3,3D3,4D3,5D3,6D2,7D2,9D
InChIKeyHVXYQAREJSKQNE-DZAIYLDHSA-N
MW215.41 g/mol
LogP1.43
Rot. Bonds5

About N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide

N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide (PubChem CID 131858364) has the molecular formula C11H22N2O and a molecular weight of 215.41 g/mol. Its IUPAC name is N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide
PubChem CID131858364
Molecular FormulaC11H22N2O
Molecular Weight215.41 g/mol
Exact Mass215.28
IUPAC NameN-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])(NC(C)=O)C1([2H])[2H]
InChIInChI=1S/C11H22N2O/c1-8(14)12-9-6-10(2,3)13-11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)/i2D3,3D3,4D3,5D3,6D2,7D2,9D
InChIKeyHVXYQAREJSKQNE-DZAIYLDHSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 178170769
N-(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterio-1-adamantyl)acetamide
CID 169432570
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 11789290
(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioic S-acid
CID 88728332
1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108896891
2,6-bis[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hepta-2,5-dien-4-one
CID 70420025
2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 113225451
N-(1-cyclopropylcyclopropyl)acetamide
CID 131085975
N-[(2S,6R)-2,6-dimethylpiperidin-4-yl]acetamide
CID 59032904
N-(5-acetamido-3,3-dimethylcyclohexyl)acetamide
CID 23292846
N-(4,4-dimethylcyclohexyl)acetamide;hydrochloride
CID 156735738
N-(3,3,6,6-tetramethylcycloheptyl)acetamide
CID 142825671

Frequently Asked Questions

What is the IUPAC name of N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide (CID 131858364) is N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])(NC(C)=O)C1([2H])[2H].
What is the InChIKey of N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide?
The InChIKey is HVXYQAREJSKQNE-DZAIYLDHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(14)12-9-6-10(2,3)13-11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)/i2D3,3D3,4D3,5D3,6D2,7D2,9D.
What are the key properties of N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide?
N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide has a molecular weight of 215.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,4,5,5-pentadeuterio-2,2,6,6-tetrakis(trideuteriomethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 131858364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).