ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate

C28H38N4O4 — CID 178161715

IUPACethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CC2CCN(c3ccc4c(C5CCC(=O)NC5=O)cn(C)c4c3)CC2)CC1
InChIInChI=1S/C28H38N4O4/c1-3-36-28(35)32-14-10-20(11-15-32)16-19-8-12-31(13-9-19)21-4-5-22-24(18-30(2)25(22)17-21)23-6-7-26(33)29-27(23)34/h4-5,17-20,23H,3,6-16H2,1-2H3,(H,29,33,34)
InChIKeyRFCFKOISHSBBQF-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.17
Rot. Bonds5

About ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate

ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate (PubChem CID 178161715) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate
PubChem CID178161715
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Nameethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CC2CCN(c3ccc4c(C5CCC(=O)NC5=O)cn(C)c4c3)CC2)CC1
InChIInChI=1S/C28H38N4O4/c1-3-36-28(35)32-14-10-20(11-15-32)16-19-8-12-31(13-9-19)21-4-5-22-24(18-30(2)25(22)17-21)23-6-7-26(33)29-27(23)34/h4-5,17-20,23H,3,6-16H2,1-2H3,(H,29,33,34)
InChIKeyRFCFKOISHSBBQF-UHFFFAOYSA-N
XLogP4.17
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161184
ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 178161660
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 178161127
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
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)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
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 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-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate
CID 178161175
3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate
CID 178161203

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate (CID 178161715) is ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CC2CCN(c3ccc4c(C5CCC(=O)NC5=O)cn(C)c4c3)CC2)CC1.
What is the InChIKey of ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate?
The InChIKey is RFCFKOISHSBBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-3-36-28(35)32-14-10-20(11-15-32)16-19-8-12-31(13-9-19)21-4-5-22-24(18-30(2)25(22)17-21)23-6-7-26(33)29-27(23)34/h4-5,17-20,23H,3,6-16H2,1-2H3,(H,29,33,34).
What are the key properties of ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate?
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate has a molecular weight of 494.64 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 178161715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).