tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate

C23H30N4O5 — CID 170321392

IUPACtert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc21
InChIInChI=1S/C23H30N4O5/c1-23(2,3)32-22(30)27-11-9-14(10-12-27)31-15-5-6-16-18(13-15)26(4)25-20(16)17-7-8-19(28)24-21(17)29/h5-6,13-14,17H,7-12H2,1-4H3,(H,24,28,29)
InChIKeyVVRBKBZJAXTDPX-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate (PubChem CID 170321392) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate
PubChem CID170321392
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Nametert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc21
InChIInChI=1S/C23H30N4O5/c1-23(2,3)32-22(30)27-11-9-14(10-12-27)31-15-5-6-16-18(13-15)26(4)25-20(16)17-7-8-19(28)24-21(17)29/h5-6,13-14,17H,7-12H2,1-4H3,(H,24,28,29)
InChIKeyVVRBKBZJAXTDPX-UHFFFAOYSA-N
XLogP2.87
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane
CID 178160748
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperazine-1-carboxylate
CID 170322178
tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate
CID 178161503
tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]triazol-4-yl]piperidine-1-carboxylate
CID 178161301
tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate
CID 170629691
tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
CID 170629792
tert-butyl 3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 178161570
tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 178017552
tert-butyl (2S,4S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 170617163
ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 178161660
benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene
CID 167478456
tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 175984559

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate (CID 170321392) is tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate is Cn1nc(C2CCC(=O)NC2=O)c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc21.
What is the InChIKey of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate?
The InChIKey is VVRBKBZJAXTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-23(2,3)32-22(30)27-11-9-14(10-12-27)31-15-5-6-16-18(13-15)26(4)25-20(16)17-7-8-19(28)24-21(17)29/h5-6,13-14,17H,7-12H2,1-4H3,(H,24,28,29).
What are the key properties of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate has a molecular weight of 442.52 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 170321392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).