[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate

C23H27F3N4O4 — CID 46695903

IUPAC[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C23H27F3N4O4/c1-14(2)30-19(8-11-27-30)28-20(31)15(3)34-22(33)17-9-12-29(13-10-17)21(32)16-4-6-18(7-5-16)23(24,25)26/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,28,31)
InChIKeyXFEBCFIEEKDOSS-UHFFFAOYSA-N
MW480.49 g/mol
LogP3.91
Rot. Bonds6

About [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate

[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate (PubChem CID 46695903) has the molecular formula C23H27F3N4O4 and a molecular weight of 480.49 g/mol. Its IUPAC name is [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
PubChem CID46695903
Molecular FormulaC23H27F3N4O4
Molecular Weight480.49 g/mol
Exact Mass480.20
IUPAC Name[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C23H27F3N4O4/c1-14(2)30-19(8-11-27-30)28-20(31)15(3)34-22(33)17-9-12-29(13-10-17)21(32)16-4-6-18(7-5-16)23(24,25)26/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,28,31)
InChIKeyXFEBCFIEEKDOSS-UHFFFAOYSA-N
XLogP3.91
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate 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

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 55508380
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 46695758
[(2S)-1-amino-1-oxopropan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 42543591
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 46695725
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 55320940
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360104
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 42899440
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 2511069
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360041
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55420124
[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 43026297
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 46622384

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate (CID 46695903) is [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate is CC(OC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is XFEBCFIEEKDOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O4/c1-14(2)30-19(8-11-27-30)28-20(31)15(3)34-22(33)17-9-12-29(13-10-17)21(32)16-4-6-18(7-5-16)23(24,25)26/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,28,31).
What are the key properties of [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 480.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 46695903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).