tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate

C26H36N4O5 — CID 156507242

IUPACtert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate
SMILESCC(C)n1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(CC(=O)OC(C)(C)C)CC3)cc21
InChIInChI=1S/C26H36N4O5/c1-16(2)29-21-14-18(17-10-12-28(13-11-17)15-23(32)35-26(3,4)5)6-7-19(21)30(25(29)34)20-8-9-22(31)27-24(20)33/h6-7,14,16-17,20H,8-13,15H2,1-5H3,(H,27,31,33)
InChIKeyVPHODJJPAXISOE-UHFFFAOYSA-N
MW484.60 g/mol
LogP2.88
Rot. Bonds5

About tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate

tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate (PubChem CID 156507242) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate
PubChem CID156507242
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Nametert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate
SMILESCC(C)n1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(CC(=O)OC(C)(C)C)CC3)cc21
InChIInChI=1S/C26H36N4O5/c1-16(2)29-21-14-18(17-10-12-28(13-11-17)15-23(32)35-26(3,4)5)6-7-19(21)30(25(29)34)20-8-9-22(31)27-24(20)33/h6-7,14,16-17,20H,8-13,15H2,1-5H3,(H,27,31,33)
InChIKeyVPHODJJPAXISOE-UHFFFAOYSA-N
XLogP2.88
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[2-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate
CID 172592486
3-(5-methyl-2-oxo-3-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 171641750
tert-butyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-fluorophenyl]piperidin-1-yl]acetate
CID 156516068
3-[3-methyl-5-[1-(methylaminomethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168900516
tert-butyl 2-[(3S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-methylpiperazin-1-yl]acetate
CID 166549579
tert-butyl 6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 176911941
3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 155405525
tert-butyl 6-[3-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]propoxy]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166118456
4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde
CID 156798922
tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170624626
tert-butyl 2-[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170625132
3-[3-methyl-2-oxo-5-[1-[[(3S)-pyrrolidin-3-yl]methyl]piperidin-4-yl]benzimidazol-1-yl]piperidine-2,6-dione
CID 170320528

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate (CID 156507242) is tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate is CC(C)n1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(CC(=O)OC(C)(C)C)CC3)cc21.
What is the InChIKey of tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate?
The InChIKey is VPHODJJPAXISOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-16(2)29-21-14-18(17-10-12-28(13-11-17)15-23(32)35-26(3,4)5)6-7-19(21)30(25(29)34)20-8-9-22(31)27-24(20)33/h6-7,14,16-17,20H,8-13,15H2,1-5H3,(H,27,31,33).
What are the key properties of tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate?
tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate has a molecular weight of 484.60 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-3-propan-2-ylbenzimidazol-5-yl]piperidin-1-yl]acetate is sourced from PubChem (CID 156507242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).