1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one

C83H126F15N5O7S3Si4 — CID 159038781

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(c1ccc([Si](C)(C)C)cc1)N1CCCCC1=O.CC(C)(C)[Si](C)(C)OCC(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCC1=O.CC(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCCC1=O.CC(c1ccc([Si](C)(C)C)cc1)N1CCCCC1=O.CC(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCC1=O
InChIInChI=1S/C22H39NO2Si2.C19H30F5NO2SSi.C16H25NOSi.2C13H16F5NOS/c1-22(2,3)27(7,8)25-17-20(23-16-10-9-11-21(23)24)18-12-14-19(15-13-18)26(4,5)6;1-19(2,3)29(4,5)27-14-17(25-12-7-6-11-18(25)26)15-9-8-10-16(13-15)28(20,21,22,23)24;1-13(17-12-6-5-7-16(17)18)14-8-10-15(11-9-14)19(2,3)4;1-10(19-8-3-2-7-13(19)20)11-5-4-6-12(9-11)21(14,15,16,17)18;1-10(19-9-3-2-4-13(19)20)11-5-7-12(8-6-11)21(14,15,16,17)18/h12-15,20H,9-11,16-17H2,1-8H3;8-10,13,17H,6-7,11-12,14H2,1-5H3;8-11,13H,5-7,12H2,1-4H3;4-6,9-10H,2-3,7-8H2,1H3;5-8,10H,2-4,9H2,1H3
InChIKeyJVTZMUBAFWSDHT-UHFFFAOYSA-N
MW1799.46 g/mol
LogP26.87
Rot. Bonds21

About 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one

1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one (PubChem CID 159038781) has the molecular formula C83H126F15N5O7S3Si4 and a molecular weight of 1799.46 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one
PubChem CID159038781
Molecular FormulaC83H126F15N5O7S3Si4
Molecular Weight1799.46 g/mol
Exact Mass1797.77
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC(c1ccc([Si](C)(C)C)cc1)N1CCCCC1=O.CC(C)(C)[Si](C)(C)OCC(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCC1=O.CC(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCCC1=O.CC(c1ccc([Si](C)(C)C)cc1)N1CCCCC1=O.CC(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCC1=O
InChIInChI=1S/C22H39NO2Si2.C19H30F5NO2SSi.C16H25NOSi.2C13H16F5NOS/c1-22(2,3)27(7,8)25-17-20(23-16-10-9-11-21(23)24)18-12-14-19(15-13-18)26(4,5)6;1-19(2,3)29(4,5)27-14-17(25-12-7-6-11-18(25)26)15-9-8-10-16(13-15)28(20,21,22,23)24;1-13(17-12-6-5-7-16(17)18)14-8-10-15(11-9-14)19(2,3)4;1-10(19-8-3-2-7-13(19)20)11-5-4-6-12(9-11)21(14,15,16,17)18;1-10(19-9-3-2-4-13(19)20)11-5-7-12(8-6-11)21(14,15,16,17)18/h12-15,20H,9-11,16-17H2,1-8H3;8-10,13,17H,6-7,11-12,14H2,1-5H3;8-11,13H,5-7,12H2,1-4H3;4-6,9-10H,2-3,7-8H2,1H3;5-8,10H,2-4,9H2,1H3
InChIKeyJVTZMUBAFWSDHT-UHFFFAOYSA-N
XLogP26.87
TPSA120.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001799.46
LogP ≤ 526.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one (CID 159038781) is 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one is CC(C)(C)[Si](C)(C)OCC(c1ccc([Si](C)(C)C)cc1)N1CCCCC1=O.CC(C)(C)[Si](C)(C)OCC(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCC1=O.CC(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCCCC1=O.CC(c1ccc([Si](C)(C)C)cc1)N1CCCCC1=O.CC(c1cccc(S(F)(F)(F)(F)F)c1)N1CCCCC1=O.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one?
The InChIKey is JVTZMUBAFWSDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2Si2.C19H30F5NO2SSi.C16H25NOSi.2C13H16F5NOS/c1-22(2,3)27(7,8)25-17-20(23-16-10-9-11-21(23)24)18-12-14-19(15-13-18)26(4,5)6;1-19(2,3)29(4,5)27-14-17(25-12-7-6-11-18(25)26)15-9-8-10-16(13-15)28(20,21,22,23)24;1-13(17-12-6-5-7-16(17)18)14-8-10-15(11-9-14)19(2,3)4;1-10(19-8-3-2-7-13(19)20)11-5-4-6-12(9-11)21(14,15,16,17)18;1-10(19-9-3-2-4-13(19)20)11-5-7-12(8-6-11)21(14,15,16,17)18/h12-15,20H,9-11,16-17H2,1-8H3;8-10,13,17H,6-7,11-12,14H2,1-5H3;8-11,13H,5-7,12H2,1-4H3;4-6,9-10H,2-3,7-8H2,1H3;5-8,10H,2-4,9H2,1H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one?
1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one has a molecular weight of 1799.46 g/mol, XLogP of 26.87, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 159038781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).