benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

C25H38N4O4Si — CID 66853124

IUPACbenzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OCN1C=C2C(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)CN2C1
InChIInChI=1S/C25H38N4O4Si/c1-25(2,3)34(4,5)33-19-26-15-22-23(30)29(18-28(22)17-26)21-11-13-27(14-12-21)24(31)32-16-20-9-7-6-8-10-20/h6-10,15,21H,11-14,16-19H2,1-5H3
InChIKeyMADYCXVOLCRHPX-UHFFFAOYSA-N
MW486.69 g/mol
LogP3.98
Rot. Bonds6

About benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate

benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (PubChem CID 66853124) has the molecular formula C25H38N4O4Si and a molecular weight of 486.69 g/mol. Its IUPAC name is benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
PubChem CID66853124
Molecular FormulaC25H38N4O4Si
Molecular Weight486.69 g/mol
Exact Mass486.27
IUPAC Namebenzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OCN1C=C2C(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)CN2C1
InChIInChI=1S/C25H38N4O4Si/c1-25(2,3)34(4,5)33-19-26-15-22-23(30)29(18-28(22)17-26)21-11-13-27(14-12-21)24(31)32-16-20-9-7-6-8-10-20/h6-10,15,21H,11-14,16-19H2,1-5H3
InChIKeyMADYCXVOLCRHPX-UHFFFAOYSA-N
XLogP3.98
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.69
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
CID 134957623
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 52915467
benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate
CID 71744038
benzyl (2S,3aS,6aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 162782558
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-oxo-4-pyridin-4-ylimidazolidin-1-yl)piperidine-1-carboxylate
CID 68565475
benzyl 4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-oxo-1,4-diazepane-1-carboxylate
CID 67074343
benzyl 4-(3-benzyl-5-oxo-4H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
CID 136814405
benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
CID 156613475
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate (CID 66853124) is benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is CC(C)(C)[Si](C)(C)OCN1C=C2C(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)CN2C1.
What is the InChIKey of benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
The InChIKey is MADYCXVOLCRHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4Si/c1-25(2,3)34(4,5)33-19-26-15-22-23(30)29(18-28(22)17-26)21-11-13-27(14-12-21)24(31)32-16-20-9-7-6-8-10-20/h6-10,15,21H,11-14,16-19H2,1-5H3.
What are the key properties of benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate?
benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate has a molecular weight of 486.69 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66853124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).