tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate

C26H34N4O6 — CID 155449404

IUPACtert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate
SMILESC[C@H](CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H34N4O6/c1-15(16-10-12-29(13-11-16)25(35)36-26(2,3)4)14-27-18-7-5-6-17-21(18)24(34)30(23(17)33)19-8-9-20(31)28-22(19)32/h5-7,15-16,19,27H,8-14H2,1-4H3,(H,28,31,32)/t15-,19?/m1/s1
InChIKeyWRDZUXNGRHJPGS-NYRJJRHWSA-N
MW498.58 g/mol
LogP2.78
Rot. Bonds5

About tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate

tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate (PubChem CID 155449404) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate
PubChem CID155449404
Molecular FormulaC26H34N4O6
Molecular Weight498.58 g/mol
Exact Mass498.25
IUPAC Nametert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate
SMILESC[C@H](CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H34N4O6/c1-15(16-10-12-29(13-11-16)25(35)36-26(2,3)4)14-27-18-7-5-6-17-21(18)24(34)30(23(17)33)19-8-9-20(31)28-22(19)32/h5-7,15-16,19,27H,8-14H2,1-4H3,(H,28,31,32)/t15-,19?/m1/s1
InChIKeyWRDZUXNGRHJPGS-NYRJJRHWSA-N
XLogP2.78
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperazine-1-carboxylate
CID 151282849
tert-butyl 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 146598983
tert-butyl 4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperazine-1-carboxylate
CID 177044180
tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidine-1-carboxylate
CID 162482506
tert-butyl 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidine-1-carboxylate
CID 138467105
tert-butyl 9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-azaspiro[5.5]undecane-3-carboxylate
CID 155438038
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazine-1-carboxylate
CID 135147127
tert-butyl 4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 139535718
tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazol-4-yl]methyl]triazol-1-yl]piperidine-1-carboxylate
CID 155469824
tert-butyl 4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]piperidine-1-carboxylate
CID 170701502
4-[[(2R)-3-amino-2-methylpropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171809906
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylpropanal
CID 176695128

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate (CID 155449404) is tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate is C[C@H](CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate?
The InChIKey is WRDZUXNGRHJPGS-NYRJJRHWSA-N. The full InChI is InChI=1S/C26H34N4O6/c1-15(16-10-12-29(13-11-16)25(35)36-26(2,3)4)14-27-18-7-5-6-17-21(18)24(34)30(23(17)33)19-8-9-20(31)28-22(19)32/h5-7,15-16,19,27H,8-14H2,1-4H3,(H,28,31,32)/t15-,19?/m1/s1.
What are the key properties of tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate has a molecular weight of 498.58 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 155449404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).