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

C22H26N2O2Si — CID 11079393

IUPAC(2R,4S)-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+/m1/s1
InChIKeyOZIBXQFAAQEQHX-MSOLQXFVSA-N
MW378.55 g/mol
LogP2.73
Rot. Bonds4

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

(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile (PubChem CID 11079393) has the molecular formula C22H26N2O2Si and a molecular weight of 378.55 g/mol. Its IUPAC name is (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile.

Molecular Properties

Compound Name(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile
PubChem CID11079393
Molecular FormulaC22H26N2O2Si
Molecular Weight378.55 g/mol
Exact Mass378.18
IUPAC Name(2R,4S)-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+/m1/s1
InChIKeyOZIBXQFAAQEQHX-MSOLQXFVSA-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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Related Compounds

(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 11682145
4-[Tert-butyl(diphenyl)silyl]oxy-6-methoxypiperidin-2-one
CID 11036387
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one
CID 134831232
(6R)-6-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-2-one
CID 15391599
6-[[Tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 15391600
4-((tert-Butyldiphenylsilyl)oxy)piperidin-2-one
CID 90295657
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
5-[Tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 139271638
(4aS,8aS)-4-[tert-butyl(diphenyl)silyl]oxy-3,4,4a,5,6,7,8,8a-octahydro-1H-1,7-naphthyridin-2-one
CID 156674365
(5S)-5-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 173613465
(4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one
CID 11101237
(4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-methoxypiperidin-2-one
CID 11383512

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile?
The IUPAC name of (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile (CID 11079393) is (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile.
What is the SMILES notation for (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile?
The canonical SMILES for (2R,4S)-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 (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile?
The InChIKey is OZIBXQFAAQEQHX-MSOLQXFVSA-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+/m1/s1.
What are the key properties of (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile?
(2R,4S)-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 (2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile is sourced from PubChem (CID 11079393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).