1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide

C21H29F3N4O7 — CID 91601759

IUPAC1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide
SMILESCC1CC(=O)N(C)C(=O)C1.CN1C(=O)CCCC1=O.CN1C(=O)CC[C@H](NC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C8H9F3N2O3.C7H11NO2.C6H9NO2/c1-13-5(14)3-2-4(6(13)15)12-7(16)8(9,10)11;1-5-3-6(9)8(2)7(10)4-5;1-7-5(8)3-2-4-6(7)9/h4H,2-3H2,1H3,(H,12,16);5H,3-4H2,1-2H3;2-4H2,1H3/t4-;;/m0../s1
InChIKeyMLJSOBILEMATHJ-FHNDMYTFSA-N
MW506.48 g/mol
LogP0.37
Rot. Bonds1

About 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide

1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide (PubChem CID 91601759) has the molecular formula C21H29F3N4O7 and a molecular weight of 506.48 g/mol. Its IUPAC name is 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide
PubChem CID91601759
Molecular FormulaC21H29F3N4O7
Molecular Weight506.48 g/mol
Exact Mass506.20
IUPAC Name1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide
SMILESCC1CC(=O)N(C)C(=O)C1.CN1C(=O)CCCC1=O.CN1C(=O)CC[C@H](NC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C8H9F3N2O3.C7H11NO2.C6H9NO2/c1-13-5(14)3-2-4(6(13)15)12-7(16)8(9,10)11;1-5-3-6(9)8(2)7(10)4-5;1-7-5(8)3-2-4-6(7)9/h4H,2-3H2,1H3,(H,12,16);5H,3-4H2,1-2H3;2-4H2,1H3/t4-;;/m0../s1
InChIKeyMLJSOBILEMATHJ-FHNDMYTFSA-N
XLogP0.37
TPSA141.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide?
The IUPAC name of 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide (CID 91601759) is 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide.
What is the SMILES notation for 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide?
The canonical SMILES for 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide is CC1CC(=O)N(C)C(=O)C1.CN1C(=O)CCCC1=O.CN1C(=O)CC[C@H](NC(=O)C(F)(F)F)C1=O.
What is the InChIKey of 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide?
The InChIKey is MLJSOBILEMATHJ-FHNDMYTFSA-N. The full InChI is InChI=1S/C8H9F3N2O3.C7H11NO2.C6H9NO2/c1-13-5(14)3-2-4(6(13)15)12-7(16)8(9,10)11;1-5-3-6(9)8(2)7(10)4-5;1-7-5(8)3-2-4-6(7)9/h4H,2-3H2,1H3,(H,12,16);5H,3-4H2,1-2H3;2-4H2,1H3/t4-;;/m0../s1.
What are the key properties of 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide?
1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide has a molecular weight of 506.48 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine-2,6-dione;1-methylpiperidine-2,6-dione;2,2,2-trifluoro-N-[(3S)-1-methyl-2,6-dioxopiperidin-3-yl]acetamide is sourced from PubChem (CID 91601759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).