tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate

C26H42N2O3Si — CID 175890610

IUPACtert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2ccc3[nH]c(CCO[Si](C)(C)C(C)(C)C)cc3c2)C1
InChIInChI=1S/C26H42N2O3Si/c1-25(2,3)31-24(29)28-14-9-10-20(18-28)19-11-12-23-21(16-19)17-22(27-23)13-15-30-32(7,8)26(4,5)6/h11-12,16-17,20,27H,9-10,13-15,18H2,1-8H3
InChIKeyVLRZKEQUHLKXHJ-UHFFFAOYSA-N
MW458.72 g/mol
LogP6.85
Rot. Bonds5

About tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate

tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate (PubChem CID 175890610) has the molecular formula C26H42N2O3Si and a molecular weight of 458.72 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate
PubChem CID175890610
Molecular FormulaC26H42N2O3Si
Molecular Weight458.72 g/mol
Exact Mass458.30
IUPAC Nametert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2ccc3[nH]c(CCO[Si](C)(C)C(C)(C)C)cc3c2)C1
InChIInChI=1S/C26H42N2O3Si/c1-25(2,3)31-24(29)28-14-9-10-20(18-28)19-11-12-23-21(16-19)17-22(27-23)13-15-30-32(7,8)26(4,5)6/h11-12,16-17,20,27H,9-10,13-15,18H2,1-8H3
InChIKeyVLRZKEQUHLKXHJ-UHFFFAOYSA-N
XLogP6.85
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.72
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxylate
CID 168512802
tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
CID 163238292
tert-butyl 3-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-chlorophenyl)-1-hydroxypentyl]piperidine-1-carboxylate
CID 72529606
tert-butyl 3-(4-bromo-2,3,5,6-tetradeuteriophenyl)piperidine-1-carboxylate
CID 162467774
tert-butyl (3R)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate
CID 163488328

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate (CID 175890610) is tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2ccc3[nH]c(CCO[Si](C)(C)C(C)(C)C)cc3c2)C1.
What is the InChIKey of tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate?
The InChIKey is VLRZKEQUHLKXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O3Si/c1-25(2,3)31-24(29)28-14-9-10-20(18-28)19-11-12-23-21(16-19)17-22(27-23)13-15-30-32(7,8)26(4,5)6/h11-12,16-17,20,27H,9-10,13-15,18H2,1-8H3.
What are the key properties of tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate?
tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate has a molecular weight of 458.72 g/mol, XLogP of 6.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1H-indol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 175890610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).