(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one

C29H35NO2Si — CID 134866999

IUPAC(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one
SMILESCC(C)(C)[Si](OC[C@H](c1ccccc1)[C@H]1CCCC(=O)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO2Si/c1-29(2,3)33(24-16-9-5-10-17-24,25-18-11-6-12-19-25)32-22-26(23-14-7-4-8-15-23)27-20-13-21-28(31)30-27/h4-12,14-19,26-27H,13,20-22H2,1-3H3,(H,30,31)/t26-,27-/m1/s1
InChIKeyWZUVPHKWXBNFAM-KAYWLYCHSA-N
MW457.69 g/mol
LogP5.02
Rot. Bonds7

About (6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one

(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one (PubChem CID 134866999) has the molecular formula C29H35NO2Si and a molecular weight of 457.69 g/mol. Its IUPAC name is (6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one
PubChem CID134866999
Molecular FormulaC29H35NO2Si
Molecular Weight457.69 g/mol
Exact Mass457.24
IUPAC Name(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one
SMILESCC(C)(C)[Si](OC[C@H](c1ccccc1)[C@H]1CCCC(=O)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H35NO2Si/c1-29(2,3)33(24-16-9-5-10-17-24,25-18-11-6-12-19-25)32-22-26(23-14-7-4-8-15-23)27-20-13-21-28(31)30-27/h4-12,14-19,26-27H,13,20-22H2,1-3H3,(H,30,31)/t26-,27-/m1/s1
InChIKeyWZUVPHKWXBNFAM-KAYWLYCHSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.69
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
CID 45103028
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409596
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one?
The IUPAC name of (6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one (CID 134866999) is (6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one?
The canonical SMILES for (6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one is CC(C)(C)[Si](OC[C@H](c1ccccc1)[C@H]1CCCC(=O)N1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one?
The InChIKey is WZUVPHKWXBNFAM-KAYWLYCHSA-N. The full InChI is InChI=1S/C29H35NO2Si/c1-29(2,3)33(24-16-9-5-10-17-24,25-18-11-6-12-19-25)32-22-26(23-14-7-4-8-15-23)27-20-13-21-28(31)30-27/h4-12,14-19,26-27H,13,20-22H2,1-3H3,(H,30,31)/t26-,27-/m1/s1.
What are the key properties of (6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one?
(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one has a molecular weight of 457.69 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 134866999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).