1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione

C14H15F2NO2 — CID 162049696

IUPAC1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione
SMILESO=C1CC(CC(F)F)C(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H15F2NO2/c15-13(16)7-11-6-12(18)9-17(14(11)19)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyYBABRJUFOPXYQU-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.26
Rot. Bonds4

About 1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione

1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione (PubChem CID 162049696) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione
PubChem CID162049696
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione
SMILESO=C1CC(CC(F)F)C(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H15F2NO2/c15-13(16)7-11-6-12(18)9-17(14(11)19)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyYBABRJUFOPXYQU-UHFFFAOYSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
3-benzhydryl-1,4-dibenzylpiperazine-2,5-dione;dihydrochloride
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1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
(11aS)-2-benzyl-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
CID 905966
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
CID 164638859
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 146160440
2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one
CID 15665472

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione (CID 162049696) is 1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione is O=C1CC(CC(F)F)C(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione?
The InChIKey is YBABRJUFOPXYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c15-13(16)7-11-6-12(18)9-17(14(11)19)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2.
What are the key properties of 1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione?
1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione has a molecular weight of 267.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,2-difluoroethyl)piperidine-2,5-dione is sourced from PubChem (CID 162049696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).