5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one

C22H23ClF6N8O3 — CID 155045440

IUPAC5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one
SMILESO=C1CCC(Nc2nc(Cn3nc(-c4ccc(Cl)cc4)n(CC(O)C(F)(F)F)c3=O)nn2CCC(F)(F)F)CN1
InChIInChI=1S/C22H23ClF6N8O3/c23-13-3-1-12(2-4-13)18-34-37(20(40)35(18)10-15(38)22(27,28)29)11-16-32-19(31-14-5-6-17(39)30-9-14)36(33-16)8-7-21(24,25)26/h1-4,14-15,38H,5-11H2,(H,30,39)(H,31,32,33)
InChIKeyBXGSVBFGJCPZDP-UHFFFAOYSA-N
MW596.92 g/mol
LogP2.57
Rot. Bonds9

About 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one

5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one (PubChem CID 155045440) has the molecular formula C22H23ClF6N8O3 and a molecular weight of 596.92 g/mol. Its IUPAC name is 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one
PubChem CID155045440
Molecular FormulaC22H23ClF6N8O3
Molecular Weight596.92 g/mol
Exact Mass596.15
IUPAC Name5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one
SMILESO=C1CCC(Nc2nc(Cn3nc(-c4ccc(Cl)cc4)n(CC(O)C(F)(F)F)c3=O)nn2CCC(F)(F)F)CN1
InChIInChI=1S/C22H23ClF6N8O3/c23-13-3-1-12(2-4-13)18-34-37(20(40)35(18)10-15(38)22(27,28)29)11-16-32-19(31-14-5-6-17(39)30-9-14)36(33-16)8-7-21(24,25)26/h1-4,14-15,38H,5-11H2,(H,30,39)(H,31,32,33)
InChIKeyBXGSVBFGJCPZDP-UHFFFAOYSA-N
XLogP2.57
TPSA131.89 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.92
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one 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

5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one
CID 142564071
2-[[1-alumanyl-5-[(1R)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-5-(4-chlorophenyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-3-one
CID 147651382
5-(4-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1,2,4-triazol-3-yl]methyl]-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-3-one
CID 154621996
2-alumanyl-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 147885257
5-(4-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-[2-(2-oxopyrrolidin-1-yl)ethylamino]-1,2,4-triazol-3-yl]methyl]-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-3-one
CID 142564073
5-(4-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-(2,2-dimethylpropylamino)-1,2,4-triazol-3-yl]methyl]-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-3-one
CID 142564014
[(1S)-1-[2-alumanyl-5-[[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-3-yl]-2-aminoethyl] 2-aminoacetate
CID 154572178
5-(4-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-[(4-hydroxyazepan-4-yl)methylamino]-1,2,4-triazol-3-yl]methyl]-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-3-one
CID 155052720
5-(4-chlorophenyl)-2-[[1-(3-chloro-2-pyridinyl)-5-[(2-hydroxy-2-methylpropyl)amino]-1,2,4-triazol-3-yl]methyl]-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-3-one
CID 155045447
5-(4-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-(3-hydroxypyrrolidin-1-yl)-1,2,4-triazol-3-yl]methyl]-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-3-one
CID 155045409
5-(4-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-(3-methoxypyrrolidin-1-yl)-1,2,4-triazol-3-yl]methyl]-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-3-one
CID 155045423
5-(4-chlorophenyl)-2-[[1-(2-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2,4-triazol-3-yl]methyl]-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-3-one
CID 121301540

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one (CID 155045440) is 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one is O=C1CCC(Nc2nc(Cn3nc(-c4ccc(Cl)cc4)n(CC(O)C(F)(F)F)c3=O)nn2CCC(F)(F)F)CN1.
What is the InChIKey of 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one?
The InChIKey is BXGSVBFGJCPZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF6N8O3/c23-13-3-1-12(2-4-13)18-34-37(20(40)35(18)10-15(38)22(27,28)29)11-16-32-19(31-14-5-6-17(39)30-9-14)36(33-16)8-7-21(24,25)26/h1-4,14-15,38H,5-11H2,(H,30,39)(H,31,32,33).
What are the key properties of 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one?
5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one has a molecular weight of 596.92 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]methyl]-2-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]amino]piperidin-2-one is sourced from PubChem (CID 155045440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).