tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate

C24H33N5O5 — CID 176736479

IUPACtert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(Cc2ccc3c(c2)n(C)c(=O)n3C2CCC(=O)NC2=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H33N5O5/c1-15-13-27(10-11-28(15)23(33)34-24(2,3)4)14-16-6-7-17-19(12-16)26(5)22(32)29(17)18-8-9-20(30)25-21(18)31/h6-7,12,15,18H,8-11,13-14H2,1-5H3,(H,25,30,31)/t15-,18?/m1/s1
InChIKeyOMPJHOBUZBGBSA-NNJIEVJOSA-N
MW471.56 g/mol
LogP1.76
Rot. Bonds3

About tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate

tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate (PubChem CID 176736479) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate
PubChem CID176736479
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Nametert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(Cc2ccc3c(c2)n(C)c(=O)n3C2CCC(=O)NC2=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H33N5O5/c1-15-13-27(10-11-28(15)23(33)34-24(2,3)4)14-16-6-7-17-19(12-16)26(5)22(32)29(17)18-8-9-20(30)25-21(18)31/h6-7,12,15,18H,8-11,13-14H2,1-5H3,(H,25,30,31)/t15-,18?/m1/s1
InChIKeyOMPJHOBUZBGBSA-NNJIEVJOSA-N
XLogP1.76
TPSA105.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 51.76
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 (2S)-4-[[1-(2,4-dioxo-1,3-diazinan-1-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 176736487
tert-butyl 2-[(3S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-methylpiperazin-1-yl]acetate
CID 166549579
3-[3-methyl-5-[[4-[2-(3-methylcyclobutyl)oxyethyl]piperazin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 163788313
tert-butyl 2-[4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]cyclohexyl]acetate
CID 155170182
tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazine-1-carboxylate
CID 155438203
3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138727888
tert-butyl 4-[[(2S)-4-[[3-cyclopropyl-1-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-5-yl]methyl]-2-ethylpiperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177301873
3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166472201
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
tert-butyl 4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]methyl]piperazine-1-carboxylate
CID 170735861
2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]acetic acid
CID 155189429
3-[5-[[4-[3-(4-ethylpiperazin-1-yl)propoxy]piperidin-1-yl]methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 167243097

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate (CID 176736479) is tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate is C[C@@H]1CN(Cc2ccc3c(c2)n(C)c(=O)n3C2CCC(=O)NC2=O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate?
The InChIKey is OMPJHOBUZBGBSA-NNJIEVJOSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-15-13-27(10-11-28(15)23(33)34-24(2,3)4)14-16-6-7-17-19(12-16)26(5)22(32)29(17)18-8-9-20(30)25-21(18)31/h6-7,12,15,18H,8-11,13-14H2,1-5H3,(H,25,30,31)/t15-,18?/m1/s1.
What are the key properties of tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate?
tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate has a molecular weight of 471.56 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 176736479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).