2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione

C24H23F3N2O3 — CID 139919168

IUPAC2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H23F3N2O3/c25-24(26,27)18-9-7-17(8-10-18)21(30)28-14-11-16(12-15-28)4-3-13-29-22(31)19-5-1-2-6-20(19)23(29)32/h1-2,5-10,16H,3-4,11-15H2
InChIKeyDMEGMFLGIIFRGK-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.63
Rot. Bonds5

About 2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione

2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione (PubChem CID 139919168) has the molecular formula C24H23F3N2O3 and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione
PubChem CID139919168
Molecular FormulaC24H23F3N2O3
Molecular Weight444.45 g/mol
Exact Mass444.17
IUPAC Name2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H23F3N2O3/c25-24(26,27)18-9-7-17(8-10-18)21(30)28-14-11-16(12-15-28)4-3-13-29-22(31)19-5-1-2-6-20(19)23(29)32/h1-2,5-10,16H,3-4,11-15H2
InChIKeyDMEGMFLGIIFRGK-UHFFFAOYSA-N
XLogP4.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione (CID 139919168) is 2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(CCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione?
The InChIKey is DMEGMFLGIIFRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3/c25-24(26,27)18-9-7-17(8-10-18)21(30)28-14-11-16(12-15-28)4-3-13-29-22(31)19-5-1-2-6-20(19)23(29)32/h1-2,5-10,16H,3-4,11-15H2.
What are the key properties of 2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione?
2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione has a molecular weight of 444.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 139919168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).