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

C26H35N5O5 — CID 178161660

IUPACethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC2CCN(c3ccc4c(C5CCC(=O)NC5=O)nn(C)c4c3)CC2)CC1
InChIInChI=1S/C26H35N5O5/c1-3-35-26(34)31-14-10-19(11-15-31)36-18-8-12-30(13-9-18)17-4-5-20-22(16-17)29(2)28-24(20)21-6-7-23(32)27-25(21)33/h4-5,16,18-19,21H,3,6-15H2,1-2H3,(H,27,32,33)
InChIKeyWBTVZEJKAGEOMQ-UHFFFAOYSA-N
MW497.60 g/mol
LogP2.70
Rot. Bonds5

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

ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 178161660) has the molecular formula C26H35N5O5 and a molecular weight of 497.60 g/mol. Its IUPAC name is ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID178161660
Molecular FormulaC26H35N5O5
Molecular Weight497.60 g/mol
Exact Mass497.26
IUPAC Nameethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC2CCN(c3ccc4c(C5CCC(=O)NC5=O)nn(C)c4c3)CC2)CC1
InChIInChI=1S/C26H35N5O5/c1-3-35-26(34)31-14-10-19(11-15-31)36-18-8-12-30(13-9-18)17-4-5-20-22(16-17)29(2)28-24(20)21-6-7-23(32)27-25(21)33/h4-5,16,18-19,21H,3,6-15H2,1-2H3,(H,27,32,33)
InChIKeyWBTVZEJKAGEOMQ-UHFFFAOYSA-N
XLogP2.70
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-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

ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate;hydrofluoride
CID 178160958
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 178161127
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
ethyl (2R,4S)-4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate
CID 178160908
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate
CID 178161203
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
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161715
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-methylindazol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178160788
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate
CID 170321392
4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
CID 178160939
3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170434898

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate (CID 178161660) is ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate is CCOC(=O)N1CCC(OC2CCN(c3ccc4c(C5CCC(=O)NC5=O)nn(C)c4c3)CC2)CC1.
What is the InChIKey of ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is WBTVZEJKAGEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O5/c1-3-35-26(34)31-14-10-19(11-15-31)36-18-8-12-30(13-9-18)17-4-5-20-22(16-17)29(2)28-24(20)21-6-7-23(32)27-25(21)33/h4-5,16,18-19,21H,3,6-15H2,1-2H3,(H,27,32,33).
What are the key properties of ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate?
ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 497.60 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 178161660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).