(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile

C22H26N2O2Si — CID 101209481

IUPAC(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile
SMILESCC(C)(C)[Si](O[C@H]1CC(=O)N[C@H](C#N)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2Si/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-18-14-17(16-23)24-21(25)15-18/h4-13,17-18H,14-15H2,1-3H3,(H,24,25)/t17-,18+/m0/s1
InChIKeyOZIBXQFAAQEQHX-ZWKOTPCHSA-N
MW378.55 g/mol
LogP2.73
Rot. Bonds4

About (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile

(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile (PubChem CID 101209481) has the molecular formula C22H26N2O2Si and a molecular weight of 378.55 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile
PubChem CID101209481
Molecular FormulaC22H26N2O2Si
Molecular Weight378.55 g/mol
Exact Mass378.18
IUPAC Name(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile
SMILESCC(C)(C)[Si](O[C@H]1CC(=O)N[C@H](C#N)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2Si/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-18-14-17(16-23)24-21(25)15-18/h4-13,17-18H,14-15H2,1-3H3,(H,24,25)/t17-,18+/m0/s1
InChIKeyOZIBXQFAAQEQHX-ZWKOTPCHSA-N
XLogP2.73
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 52.73
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 (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile?
The IUPAC name of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile (CID 101209481) is (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile?
The canonical SMILES for (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile is CC(C)(C)[Si](O[C@H]1CC(=O)N[C@H](C#N)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile?
The InChIKey is OZIBXQFAAQEQHX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H26N2O2Si/c1-22(2,3)27(19-10-6-4-7-11-19,20-12-8-5-9-13-20)26-18-14-17(16-23)24-21(25)15-18/h4-13,17-18H,14-15H2,1-3H3,(H,24,25)/t17-,18+/m0/s1.
What are the key properties of (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile?
(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile has a molecular weight of 378.55 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile is sourced from PubChem (CID 101209481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).