4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid

C18H30N4O4Si — CID 66853552

IUPAC4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCc1ncc2n1C(=O)N(C1CCN(C(=O)O)CC1)C2
InChIInChI=1S/C18H30N4O4Si/c1-18(2,3)27(4,5)26-12-15-19-10-14-11-21(16(23)22(14)15)13-6-8-20(9-7-13)17(24)25/h10,13H,6-9,11-12H2,1-5H3,(H,24,25)
InChIKeyGVTJGIBLOARPLK-UHFFFAOYSA-N
MW394.55 g/mol
LogP3.33
Rot. Bonds4

About 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid

4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid (PubChem CID 66853552) has the molecular formula C18H30N4O4Si and a molecular weight of 394.55 g/mol. Its IUPAC name is 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid
PubChem CID66853552
Molecular FormulaC18H30N4O4Si
Molecular Weight394.55 g/mol
Exact Mass394.20
IUPAC Name4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCc1ncc2n1C(=O)N(C1CCN(C(=O)O)CC1)C2
InChIInChI=1S/C18H30N4O4Si/c1-18(2,3)27(4,5)26-12-15-19-10-14-11-21(16(23)22(14)15)13-6-8-20(9-7-13)17(24)25/h10,13H,6-9,11-12H2,1-5H3,(H,24,25)
InChIKeyGVTJGIBLOARPLK-UHFFFAOYSA-N
XLogP3.33
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid (CID 66853552) is 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid is CC(C)(C)[Si](C)(C)OCc1ncc2n1C(=O)N(C1CCN(C(=O)O)CC1)C2.
What is the InChIKey of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid?
The InChIKey is GVTJGIBLOARPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4Si/c1-18(2,3)27(4,5)26-12-15-19-10-14-11-21(16(23)22(14)15)13-6-8-20(9-7-13)17(24)25/h10,13H,6-9,11-12H2,1-5H3,(H,24,25).
What are the key properties of 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid?
4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid has a molecular weight of 394.55 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 66853552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).