tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

C64H82N14O11 — CID 158264792

IUPACtert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCC(C)(C)OC(=O)c1ccc(N2CCC(C=O)CC2)cc1.CC(C)(C)OC(=O)c1ccc(N2CCC(CN3CCN(c4ccn5c(=O)n(C6CCC(=O)NC6=O)nc5c4)CC3)CC2)cc1.O=C1CCC(n2nc3cc(N4CCNCC4)ccn3c2=O)C(=O)N1
InChIInChI=1S/C32H41N7O5.C17H23NO3.C15H18N6O3/c1-32(2,3)44-30(42)23-4-6-24(7-5-23)36-13-10-22(11-14-36)21-35-16-18-37(19-17-35)25-12-15-38-27(20-25)34-39(31(38)43)26-8-9-28(40)33-29(26)41;1-17(2,3)21-16(20)14-4-6-15(7-5-14)18-10-8-13(12-19)9-11-18;22-13-2-1-11(14(23)17-13)21-15(24)20-6-3-10(9-12(20)18-21)19-7-4-16-5-8-19/h4-7,12,15,20,22,26H,8-11,13-14,16-19,21H2,1-3H3,(H,33,40,41);4-7,12-13H,8-11H2,1-3H3;3,6,9,11,16H,1-2,4-5,7-8H2,(H,17,22,23)
InChIKeyGIHOJJIHFKYKHF-UHFFFAOYSA-N
MW1223.45 g/mol
LogP4.41
Rot. Bonds11

About tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 158264792) has the molecular formula C64H82N14O11 and a molecular weight of 1223.45 g/mol. Its IUPAC name is tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nametert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID158264792
Molecular FormulaC64H82N14O11
Molecular Weight1223.45 g/mol
Exact Mass1222.63
IUPAC Nametert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESCC(C)(C)OC(=O)c1ccc(N2CCC(C=O)CC2)cc1.CC(C)(C)OC(=O)c1ccc(N2CCC(CN3CCN(c4ccn5c(=O)n(C6CCC(=O)NC6=O)nc5c4)CC3)CC2)cc1.O=C1CCC(n2nc3cc(N4CCNCC4)ccn3c2=O)C(=O)N1
InChIInChI=1S/C32H41N7O5.C17H23NO3.C15H18N6O3/c1-32(2,3)44-30(42)23-4-6-24(7-5-23)36-13-10-22(11-14-36)21-35-16-18-37(19-17-35)25-12-15-38-27(20-25)34-39(31(38)43)26-8-9-28(40)33-29(26)41;1-17(2,3)21-16(20)14-4-6-15(7-5-14)18-10-8-13(12-19)9-11-18;22-13-2-1-11(14(23)17-13)21-15(24)20-6-3-10(9-12(20)18-21)19-7-4-16-5-8-19/h4-7,12,15,20,22,26H,8-11,13-14,16-19,21H2,1-3H3,(H,33,40,41);4-7,12-13H,8-11H2,1-3H3;3,6,9,11,16H,1-2,4-5,7-8H2,(H,17,22,23)
InChIKeyGIHOJJIHFKYKHF-UHFFFAOYSA-N
XLogP4.41
TPSA268.84 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.45
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate
CID 134414455
tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 163799042
tert-butyl 4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-hydroxy-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoate
CID 134414323
tert-butyl 6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate
CID 155277961
tert-butyl 4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzoate
CID 156663052
tert-butyl 2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 170836056
1-(cyclobutylmethyl)piperazine;3-[5-(4-hydroxypiperidin-1-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176963113
tert-butyl 4-[[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 165137216
tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177302156
sodium;(3S)-3-aminopiperidine-2,6-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;tert-butyl 4-[4-(hydroxymethyl)piperidin-1-yl]benzoate;5-[4-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide;5-[4-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]pyrimidine-2-carboxylic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-formylpiperidin-1-yl)benzamide;4-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid;4-[3-[2-[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2-oxoethyl]-2,2,4,4-tetramethylcyclobutyl]oxy-2,6-dimethylbenzonitrile;methyl 5-[4-[[1-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]pyrimidine-2-carboxylate;methyl 5-piperazin-1-ylpyrimidine-2-carboxylate;hydroxide;dihydrochloride
CID 157246068
3-[3-methyl-2-oxo-5-[4-(piperidin-4-ylmethyl)piperazin-1-yl]benzimidazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175889645
tert-butyl 6-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 170566723

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 158264792) is tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is CC(C)(C)OC(=O)c1ccc(N2CCC(C=O)CC2)cc1.CC(C)(C)OC(=O)c1ccc(N2CCC(CN3CCN(c4ccn5c(=O)n(C6CCC(=O)NC6=O)nc5c4)CC3)CC2)cc1.O=C1CCC(n2nc3cc(N4CCNCC4)ccn3c2=O)C(=O)N1.
What is the InChIKey of tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is GIHOJJIHFKYKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7O5.C17H23NO3.C15H18N6O3/c1-32(2,3)44-30(42)23-4-6-24(7-5-23)36-13-10-22(11-14-36)21-35-16-18-37(19-17-35)25-12-15-38-27(20-25)34-39(31(38)43)26-8-9-28(40)33-29(26)41;1-17(2,3)21-16(20)14-4-6-15(7-5-14)18-10-8-13(12-19)9-11-18;22-13-2-1-11(14(23)17-13)21-15(24)20-6-3-10(9-12(20)18-21)19-7-4-16-5-8-19/h4-7,12,15,20,22,26H,8-11,13-14,16-19,21H2,1-3H3,(H,33,40,41);4-7,12-13H,8-11H2,1-3H3;3,6,9,11,16H,1-2,4-5,7-8H2,(H,17,22,23).
What are the key properties of tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione has a molecular weight of 1223.45 g/mol, XLogP of 4.41, 11 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzoate;tert-butyl 4-(4-formylpiperidin-1-yl)benzoate;3-(3-oxo-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 158264792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).