4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid

C20H31NO4Si — CID 90367853

IUPAC4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(c2ccc(C(=O)O)cc2)CC1=O
InChIInChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)25-13-12-21-11-10-17(14-18(21)22)15-6-8-16(9-7-15)19(23)24/h6-9,17H,10-14H2,1-5H3,(H,23,24)
InChIKeyHTUMWZFVWUGGSK-UHFFFAOYSA-N
MW377.56 g/mol
LogP4.11
Rot. Bonds6

About 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid

4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid (PubChem CID 90367853) has the molecular formula C20H31NO4Si and a molecular weight of 377.56 g/mol. Its IUPAC name is 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid
PubChem CID90367853
Molecular FormulaC20H31NO4Si
Molecular Weight377.56 g/mol
Exact Mass377.20
IUPAC Name4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(c2ccc(C(=O)O)cc2)CC1=O
InChIInChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)25-13-12-21-11-10-17(14-18(21)22)15-6-8-16(9-7-15)19(23)24/h6-9,17H,10-14H2,1-5H3,(H,23,24)
InChIKeyHTUMWZFVWUGGSK-UHFFFAOYSA-N
XLogP4.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid?
The IUPAC name of 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid (CID 90367853) is 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid.
What is the SMILES notation for 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid?
The canonical SMILES for 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid is CC(C)(C)[Si](C)(C)OCCN1CCC(c2ccc(C(=O)O)cc2)CC1=O.
What is the InChIKey of 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid?
The InChIKey is HTUMWZFVWUGGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4Si/c1-20(2,3)26(4,5)25-13-12-21-11-10-17(14-18(21)22)15-6-8-16(9-7-15)19(23)24/h6-9,17H,10-14H2,1-5H3,(H,23,24).
What are the key properties of 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid?
4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid has a molecular weight of 377.56 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid is sourced from PubChem (CID 90367853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).