benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate

C27H36N2O4Si — CID 71744038

IUPACbenzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)CC(=O)N2C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C27H36N2O4Si/c1-27(2,3)34(4,5)33-23-11-12-24-21(17-23)18-25(30)29(24)22-13-15-28(16-14-22)26(31)32-19-20-9-7-6-8-10-20/h6-12,17,22H,13-16,18-19H2,1-5H3
InChIKeyKKXVATMRFMMFDW-UHFFFAOYSA-N
MW480.68 g/mol
LogP5.76
Rot. Bonds5

About benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate

benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate (PubChem CID 71744038) has the molecular formula C27H36N2O4Si and a molecular weight of 480.68 g/mol. Its IUPAC name is benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate
PubChem CID71744038
Molecular FormulaC27H36N2O4Si
Molecular Weight480.68 g/mol
Exact Mass480.24
IUPAC Namebenzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)CC(=O)N2C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C27H36N2O4Si/c1-27(2,3)34(4,5)33-23-11-12-24-21(17-23)18-25(30)29(24)22-13-15-28(16-14-22)26(31)32-19-20-9-7-6-8-10-20/h6-12,17,22H,13-16,18-19H2,1-5H3
InChIKeyKKXVATMRFMMFDW-UHFFFAOYSA-N
XLogP5.76
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.68
LogP ≤ 55.76
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

benzyl 4-[[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]sulfamoyl]piperidine-1-carboxylate
CID 155632593
benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
CID 134957623
benzyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-cyclopropylphenyl]acetate
CID 89451937
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl]piperidine-1-carboxylate
CID 66853124
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
2-methyl-2-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)ethylsulfonyl]propanoic acid
CID 164946185
benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
CID 156613475
benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
CID 122631004
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 52915467
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate (CID 71744038) is benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)CC(=O)N2C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate?
The InChIKey is KKXVATMRFMMFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4Si/c1-27(2,3)34(4,5)33-23-11-12-24-21(17-23)18-25(30)29(24)22-13-15-28(16-14-22)26(31)32-19-20-9-7-6-8-10-20/h6-12,17,22H,13-16,18-19H2,1-5H3.
What are the key properties of benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate?
benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate has a molecular weight of 480.68 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71744038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).