1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione

C23H25F3N4O3 — CID 125012266

IUPAC1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCC(=O)N1CCCC[C@@H]1c1[nH]ncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H25F3N4O3/c24-23(25,26)16-9-7-15(8-10-16)17-14-27-28-22(17)18-4-1-2-12-29(18)21(33)11-13-30-19(31)5-3-6-20(30)32/h7-10,14,18H,1-6,11-13H2,(H,27,28)/t18-/m1/s1
InChIKeyVWFGHJMLSUGEDE-GOSISDBHSA-N
MW462.47 g/mol
LogP4.08
Rot. Bonds5

About 1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione

1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione (PubChem CID 125012266) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is 1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione
PubChem CID125012266
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC Name1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCC(=O)N1CCCC[C@@H]1c1[nH]ncc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H25F3N4O3/c24-23(25,26)16-9-7-15(8-10-16)17-14-27-28-22(17)18-4-1-2-12-29(18)21(33)11-13-30-19(31)5-3-6-20(30)32/h7-10,14,18H,1-6,11-13H2,(H,27,28)/t18-/m1/s1
InChIKeyVWFGHJMLSUGEDE-GOSISDBHSA-N
XLogP4.08
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(pyrimidin-2-ylamino)-1-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]butan-1-one
CID 125018309
[4-(2-methoxyethoxy)phenyl]-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110076044
[4-[2-(dimethylamino)ethoxy]phenyl]-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 132780300
[4-(pyrazol-1-ylmethyl)phenyl]-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 132773606
N-[2-oxo-2-[(2S)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 125019902
1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione
CID 110122458
[3-[2-(dimethylamino)ethoxy]phenyl]-[2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 132780299
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
1-[2-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124974089
[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 129453410
[3-(imidazol-1-ylmethyl)phenyl]-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 129457542

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione?
The IUPAC name of 1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione (CID 125012266) is 1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione?
The canonical SMILES for 1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCC(=O)N1CCCC[C@@H]1c1[nH]ncc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione?
The InChIKey is VWFGHJMLSUGEDE-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c24-23(25,26)16-9-7-15(8-10-16)17-14-27-28-22(17)18-4-1-2-12-29(18)21(33)11-13-30-19(31)5-3-6-20(30)32/h7-10,14,18H,1-6,11-13H2,(H,27,28)/t18-/m1/s1.
What are the key properties of 1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione?
1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione has a molecular weight of 462.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]propyl]piperidine-2,6-dione is sourced from PubChem (CID 125012266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).