tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

C22H31N5O6 — CID 66853680

IUPACtert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2Cc3cnc(COC(=O)CN4CCCC4=O)n3C2=O)CC1
InChIInChI=1S/C22H31N5O6/c1-22(2,3)33-21(31)24-9-6-15(7-10-24)26-12-16-11-23-17(27(16)20(26)30)14-32-19(29)13-25-8-4-5-18(25)28/h11,15H,4-10,12-14H2,1-3H3
InChIKeyXRPHTFPZEUEWPU-UHFFFAOYSA-N
MW461.52 g/mol
LogP1.73
Rot. Bonds5

About tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (PubChem CID 66853680) has the molecular formula C22H31N5O6 and a molecular weight of 461.52 g/mol. Its IUPAC name is tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
PubChem CID66853680
Molecular FormulaC22H31N5O6
Molecular Weight461.52 g/mol
Exact Mass461.23
IUPAC Nametert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2Cc3cnc(COC(=O)CN4CCCC4=O)n3C2=O)CC1
InChIInChI=1S/C22H31N5O6/c1-22(2,3)33-21(31)24-9-6-15(7-10-24)26-12-16-11-23-17(27(16)20(26)30)14-32-19(29)13-25-8-4-5-18(25)28/h11,15H,4-10,12-14H2,1-3H3
InChIKeyXRPHTFPZEUEWPU-UHFFFAOYSA-N
XLogP1.73
TPSA114.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[3-(3-acetamidopropanoyloxymethyl)-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853100
tert-butyl 4-[3-[3-(butanoylamino)propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853086
tert-butyl 4-[3-[3-[ethyl(propanoyl)amino]propanoyloxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853334
(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl 1-acetylpiperidine-4-carboxylate
CID 66852847
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 91005830
[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride
CID 139633052
tert-butyl N-ethyl-N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 68646928
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
tert-butyl 4-(1-benzyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate
CID 155667424
3-[(dimethylamino)methyl]-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-5-one
CID 66854223
tert-butyl (3R)-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168506489

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (CID 66853680) is tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2Cc3cnc(COC(=O)CN4CCCC4=O)n3C2=O)CC1.
What is the InChIKey of tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The InChIKey is XRPHTFPZEUEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O6/c1-22(2,3)33-21(31)24-9-6-15(7-10-24)26-12-16-11-23-17(27(16)20(26)30)14-32-19(29)13-25-8-4-5-18(25)28/h11,15H,4-10,12-14H2,1-3H3.
What are the key properties of tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate has a molecular weight of 461.52 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-oxo-3-[[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl]-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66853680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).