tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate

C58H86N8O10Si2 — CID 159862757

IUPACtert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nc(/C=C/CO[Si](C)(C)C(C)(C)C)cn(Cc3ccccc3)c2=O)CC1=O.CC(C)(C)OC(=O)N1CCN(c2nc(CCCO[Si](C)(C)C(C)(C)C)cn(Cc3ccccc3)c2=O)CC1=O
InChIInChI=1S/C29H44N4O5Si.C29H42N4O5Si/c2*1-28(2,3)38-27(36)33-17-16-31(21-24(33)34)25-26(35)32(19-22-13-10-9-11-14-22)20-23(30-25)15-12-18-37-39(7,8)29(4,5)6/h9-11,13-14,20H,12,15-19,21H2,1-8H3;9-15,20H,16-19,21H2,1-8H3/b;15-12+
InChIKeyNRIWLIXJKXPUDW-QKGKYSBESA-N
MW1111.54 g/mol
LogP9.74
Rot. Bonds15

About tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate

tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate (PubChem CID 159862757) has the molecular formula C58H86N8O10Si2 and a molecular weight of 1111.54 g/mol. Its IUPAC name is tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate
PubChem CID159862757
Molecular FormulaC58H86N8O10Si2
Molecular Weight1111.54 g/mol
Exact Mass1110.60
IUPAC Nametert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2nc(/C=C/CO[Si](C)(C)C(C)(C)C)cn(Cc3ccccc3)c2=O)CC1=O.CC(C)(C)OC(=O)N1CCN(c2nc(CCCO[Si](C)(C)C(C)(C)C)cn(Cc3ccccc3)c2=O)CC1=O
InChIInChI=1S/C29H44N4O5Si.C29H42N4O5Si/c2*1-28(2,3)38-27(36)33-17-16-31(21-24(33)34)25-26(35)32(19-22-13-10-9-11-14-22)20-23(30-25)15-12-18-37-39(7,8)29(4,5)6/h9-11,13-14,20H,12,15-19,21H2,1-8H3;9-15,20H,16-19,21H2,1-8H3/b;15-12+
InChIKeyNRIWLIXJKXPUDW-QKGKYSBESA-N
XLogP9.74
TPSA187.94 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.54
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate (CID 159862757) is tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2nc(/C=C/CO[Si](C)(C)C(C)(C)C)cn(Cc3ccccc3)c2=O)CC1=O.CC(C)(C)OC(=O)N1CCN(c2nc(CCCO[Si](C)(C)C(C)(C)C)cn(Cc3ccccc3)c2=O)CC1=O.
What is the InChIKey of tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate?
The InChIKey is NRIWLIXJKXPUDW-QKGKYSBESA-N. The full InChI is InChI=1S/C29H44N4O5Si.C29H42N4O5Si/c2*1-28(2,3)38-27(36)33-17-16-31(21-24(33)34)25-26(35)32(19-22-13-10-9-11-14-22)20-23(30-25)15-12-18-37-39(7,8)29(4,5)6/h9-11,13-14,20H,12,15-19,21H2,1-8H3;9-15,20H,16-19,21H2,1-8H3/b;15-12+.
What are the key properties of tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate?
tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate has a molecular weight of 1111.54 g/mol, XLogP of 9.74, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-benzyl-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate;tert-butyl 4-[4-benzyl-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-oxopyrazin-2-yl]-2-oxopiperazine-1-carboxylate is sourced from PubChem (CID 159862757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).