1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione

C13H15NO2 — CID 59575729

IUPAC1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione
SMILES[2H]C([2H])([2H])C1CC(=O)N(Cc2ccccc2)CC1=O
InChIInChI=1S/C13H15NO2/c1-10-7-13(16)14(9-12(10)15)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/i1D3
InChIKeyWUXCJFCWMFCPIG-FIBGUPNXSA-N
MW220.29 g/mol
LogP1.62
Rot. Bonds3

About 1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione

1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione (PubChem CID 59575729) has the molecular formula C13H15NO2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione
PubChem CID59575729
Molecular FormulaC13H15NO2
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione
SMILES[2H]C([2H])([2H])C1CC(=O)N(Cc2ccccc2)CC1=O
InChIInChI=1S/C13H15NO2/c1-10-7-13(16)14(9-12(10)15)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/i1D3
InChIKeyWUXCJFCWMFCPIG-FIBGUPNXSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5,5-dimethoxy-4-methylpiperidin-2-one;1-benzyl-4-methylpiperidine-2,5-dione;trimethoxymethane
CID 158028172
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one
CID 95242128
1,10-bis(4-aminobutyl)-4,7,13,16-tetrabenzyl-1,4,7,10,13-pentazacyclooctadecane-2,5,8,11,14,17-hexone
CID 134403575
4-benzyl-5H-1,4-benzoxazepin-3-one
CID 22665722
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
1,4-dibenzylpiperidin-2-one
CID 57246894
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
1-[(4-benzylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 22292958
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione?
The IUPAC name of 1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione (CID 59575729) is 1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione.
What is the SMILES notation for 1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione?
The canonical SMILES for 1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione is [2H]C([2H])([2H])C1CC(=O)N(Cc2ccccc2)CC1=O.
What is the InChIKey of 1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione?
The InChIKey is WUXCJFCWMFCPIG-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-7-13(16)14(9-12(10)15)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/i1D3.
What are the key properties of 1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione?
1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione has a molecular weight of 220.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(trideuteriomethyl)piperidine-2,5-dione is sourced from PubChem (CID 59575729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).