2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione

C20H19F3N4O4 — CID 90539984

IUPAC2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C20H19F3N4O4/c21-20(22,23)19-25-24-16(31-19)12-7-10-26(11-8-12)15(28)6-3-9-27-17(29)13-4-1-2-5-14(13)18(27)30/h1-2,4-5,12H,3,6-11H2
InChIKeyPYQOSJTZCRRZMZ-UHFFFAOYSA-N
MW436.39 g/mol
LogP2.87
Rot. Bonds5

About 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione

2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione (PubChem CID 90539984) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione
PubChem CID90539984
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC Name2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C20H19F3N4O4/c21-20(22,23)19-25-24-16(31-19)12-7-10-26(11-8-12)15(28)6-3-9-27-17(29)13-4-1-2-5-14(13)18(27)30/h1-2,4-5,12H,3,6-11H2
InChIKeyPYQOSJTZCRRZMZ-UHFFFAOYSA-N
XLogP2.87
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 90539912
2-[4-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 90543234
3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 90539832
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548744
1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364092
1-(4-chlorophenyl)-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butane-1,4-dione
CID 90539805
2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 71792964
2-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 35348582
2-[4-oxo-4-(4-pyrimidin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
CID 90558819
cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 71792951

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione (CID 90539984) is 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione is O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione?
The InChIKey is PYQOSJTZCRRZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c21-20(22,23)19-25-24-16(31-19)12-7-10-26(11-8-12)15(28)6-3-9-27-17(29)13-4-1-2-5-14(13)18(27)30/h1-2,4-5,12H,3,6-11H2.
What are the key properties of 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione?
2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione has a molecular weight of 436.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butyl]isoindole-1,3-dione is sourced from PubChem (CID 90539984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).