N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H14F3N3O3 — CID 79261283

IUPACN-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN1C(=O)CCC(NC(=O)CNCC(F)(F)F)C1=O
InChIInChI=1S/C10H14F3N3O3/c1-16-8(18)3-2-6(9(16)19)15-7(17)4-14-5-10(11,12)13/h6,14H,2-5H2,1H3,(H,15,17)
InChIKeyLERSMRPXSWRGQF-UHFFFAOYSA-N
MW281.23 g/mol
LogP-0.60
Rot. Bonds4

About N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261283) has the molecular formula C10H14F3N3O3 and a molecular weight of 281.23 g/mol. Its IUPAC name is N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261283
Molecular FormulaC10H14F3N3O3
Molecular Weight281.23 g/mol
Exact Mass281.10
IUPAC NameN-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN1C(=O)CCC(NC(=O)CNCC(F)(F)F)C1=O
InChIInChI=1S/C10H14F3N3O3/c1-16-8(18)3-2-6(9(16)19)15-7(17)4-14-5-10(11,12)13/h6,14H,2-5H2,1H3,(H,15,17)
InChIKeyLERSMRPXSWRGQF-UHFFFAOYSA-N
XLogP-0.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427800
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 116656521
N-(2,3-dihydro-1H-inden-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78932004
N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-morpholin-2-ylacetamide
CID 66429400
methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
CID 79624186
N-(2-methylcyclopropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958386
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79321740
3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 114493300
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 115460043
N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80713697
2-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-morpholin-4-ylpropanamide
CID 128895113

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261283) is N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CN1C(=O)CCC(NC(=O)CNCC(F)(F)F)C1=O.
What is the InChIKey of N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LERSMRPXSWRGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3/c1-16-8(18)3-2-6(9(16)19)15-7(17)4-14-5-10(11,12)13/h6,14H,2-5H2,1H3,(H,15,17).
What are the key properties of N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 281.23 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).