methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate

C24H30N2O3Si — CID 101209477

IUPACmethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C#N
InChIInChI=1S/C24H30N2O3Si/c1-24(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-20-15-16-26(23(27)28-4)19(17-20)18-25/h5-14,19-20H,15-17H2,1-4H3/t19-,20+/m0/s1
InChIKeyHNQGYYHKVDWNLF-VQTJNVASSA-N
MW422.60 g/mol
LogP3.69
Rot. Bonds4

About methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate

methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate (PubChem CID 101209477) has the molecular formula C24H30N2O3Si and a molecular weight of 422.60 g/mol. Its IUPAC name is methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate
PubChem CID101209477
Molecular FormulaC24H30N2O3Si
Molecular Weight422.60 g/mol
Exact Mass422.20
IUPAC Namemethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C#N
InChIInChI=1S/C24H30N2O3Si/c1-24(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-20-15-16-26(23(27)28-4)19(17-20)18-25/h5-14,19-20H,15-17H2,1-4H3/t19-,20+/m0/s1
InChIKeyHNQGYYHKVDWNLF-VQTJNVASSA-N
XLogP3.69
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 24787516
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 175889399
1-O-tert-butyl 2-O-methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 143106522
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135
3-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-3-oxopropanenitrile
CID 171719158
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
CID 166543577
3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 85218514
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
methyl (2S,4R)-2-cyano-4-methylpiperidine-1-carboxylate
CID 25198036
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 169225341

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate?
The IUPAC name of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate (CID 101209477) is methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate is COC(=O)N1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C#N.
What is the InChIKey of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate?
The InChIKey is HNQGYYHKVDWNLF-VQTJNVASSA-N. The full InChI is InChI=1S/C24H30N2O3Si/c1-24(2,3)30(21-11-7-5-8-12-21,22-13-9-6-10-14-22)29-20-15-16-26(23(27)28-4)19(17-20)18-25/h5-14,19-20H,15-17H2,1-4H3/t19-,20+/m0/s1.
What are the key properties of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate?
methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate has a molecular weight of 422.60 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate is sourced from PubChem (CID 101209477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).