(4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one

C24H29NO2Si — CID 134831232

IUPAC(4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one
SMILESC#CCC1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)N1
InChIInChI=1S/C24H29NO2Si/c1-5-12-19-17-20(18-23(26)25-19)27-28(24(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h1,6-11,13-16,19-20H,12,17-18H2,2-4H3,(H,25,26)/t19?,20-/m0/s1
InChIKeyXJEFQFTXBBJGGW-ANYOKISRSA-N
MW391.59 g/mol
LogP3.23
Rot. Bonds5

About (4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one (PubChem CID 134831232) has the molecular formula C24H29NO2Si and a molecular weight of 391.59 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one
PubChem CID134831232
Molecular FormulaC24H29NO2Si
Molecular Weight391.59 g/mol
Exact Mass391.20
IUPAC Name(4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one
SMILESC#CCC1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)N1
InChIInChI=1S/C24H29NO2Si/c1-5-12-19-17-20(18-23(26)25-19)27-28(24(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h1,6-11,13-16,19-20H,12,17-18H2,2-4H3,(H,25,26)/t19?,20-/m0/s1
InChIKeyXJEFQFTXBBJGGW-ANYOKISRSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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
(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one
CID 11589615
(6R)-6-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-2-one
CID 15391599
6-[[Tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 15391600
3-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-2-one
CID 59410781
4-((tert-Butyldiphenylsilyl)oxy)piperidin-2-one
CID 90295657
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidine-2-carbonitrile
CID 11079393
(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
(4S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-enylpiperidin-2-one
CID 11731967

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one?
The IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one (CID 134831232) is (4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one.
What is the SMILES notation for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one?
The canonical SMILES for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one is C#CCC1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(=O)N1.
What is the InChIKey of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one?
The InChIKey is XJEFQFTXBBJGGW-ANYOKISRSA-N. The full InChI is InChI=1S/C24H29NO2Si/c1-5-12-19-17-20(18-23(26)25-19)27-28(24(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h1,6-11,13-16,19-20H,12,17-18H2,2-4H3,(H,25,26)/t19?,20-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one?
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one has a molecular weight of 391.59 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-prop-2-ynylpiperidin-2-one is sourced from PubChem (CID 134831232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).