4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione

C17H18F3N3O3 — CID 162346906

IUPAC4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2ccc(C3=NC(C(F)(F)F)ON3)cc2)C(=O)C1
InChIInChI=1S/C17H18F3N3O3/c1-16(2)7-12(24)23(13(25)8-16)9-10-3-5-11(6-4-10)14-21-15(26-22-14)17(18,19)20/h3-6,15H,7-9H2,1-2H3,(H,21,22)
InChIKeyMVVFPQWFLWFDMG-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.53
Rot. Bonds3

About 4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione

4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione (PubChem CID 162346906) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione
PubChem CID162346906
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2ccc(C3=NC(C(F)(F)F)ON3)cc2)C(=O)C1
InChIInChI=1S/C17H18F3N3O3/c1-16(2)7-12(24)23(13(25)8-16)9-10-3-5-11(6-4-10)14-21-15(26-22-14)17(18,19)20/h3-6,15H,7-9H2,1-2H3,(H,21,22)
InChIKeyMVVFPQWFLWFDMG-UHFFFAOYSA-N
XLogP2.53
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[[(methoxyamino)-[4-(trifluoromethyl)phenyl]methylidene]amino]ethenyl]piperidine-4-carboxamide
CID 123254230
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
CID 139469215
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 139473687
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 144507678
2-[[4-[5-(Trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-azabicyclo[2.2.1]heptan-3-one
CID 146602579
N-methyl-N-[[4-[5-methyl-5-(trifluoromethyl)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 153401296
Piperidin-1-yl-[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 169680398
N-methoxy-N-[[4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazin-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 175352798
N-[[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-methoxycyclopropanecarboxamide
CID 177197071
N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide
CID 137352142
N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide
CID 160064705

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione (CID 162346906) is 4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione is CC1(C)CC(=O)N(Cc2ccc(C3=NC(C(F)(F)F)ON3)cc2)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione?
The InChIKey is MVVFPQWFLWFDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-16(2)7-12(24)23(13(25)8-16)9-10-3-5-11(6-4-10)14-21-15(26-22-14)17(18,19)20/h3-6,15H,7-9H2,1-2H3,(H,21,22).
What are the key properties of 4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione?
4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione has a molecular weight of 369.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 162346906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).