tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate

C26H38N4O3Si — CID 170545867

IUPACtert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)c2cccnc2n3COCC[Si](C)(C)C)CC1
InChIInChI=1S/C26H38N4O3Si/c1-26(2,3)33-25(31)29-14-12-28(13-15-29)20-9-10-23-22(18-20)21-8-7-11-27-24(21)30(23)19-32-16-17-34(4,5)6/h7-11,18H,12-17,19H2,1-6H3
InChIKeyXRERBCVUFILJME-UHFFFAOYSA-N
MW482.70 g/mol
LogP5.56
Rot. Bonds6

About tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate

tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate (PubChem CID 170545867) has the molecular formula C26H38N4O3Si and a molecular weight of 482.70 g/mol. Its IUPAC name is tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate
PubChem CID170545867
Molecular FormulaC26H38N4O3Si
Molecular Weight482.70 g/mol
Exact Mass482.27
IUPAC Nametert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)c2cccnc2n3COCC[Si](C)(C)C)CC1
InChIInChI=1S/C26H38N4O3Si/c1-26(2,3)33-25(31)29-14-12-28(13-15-29)20-9-10-23-22(18-20)21-8-7-11-27-24(21)30(23)19-32-16-17-34(4,5)6/h7-11,18H,12-17,19H2,1-6H3
InChIKeyXRERBCVUFILJME-UHFFFAOYSA-N
XLogP5.56
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.70
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-bromo-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]piperazine-1-carboxylate
CID 176911029
tert-butyl 4-[1-methyl-2-oxo-3-(2-trimethylsilylethoxymethyl)-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl]piperazine-1-carboxylate
CID 86727593
tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate
CID 59511347
tert-butyl 4-[2-[[4-methoxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 171795721
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
[7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinolin-4-yl]boronic acid
CID 171809812
tert-butyl 4-[4-chloro-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate
CID 90420501
tert-butyl (2S)-2-[2-[4-[4-cyano-8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-13-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-1-carboxylate
CID 58365023
tert-butyl 4-[3-acetyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-5-yl]piperazine-1-carboxylate
CID 118323541
tert-butyl 4-[2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]ethyl]piperidine-1-carboxylate
CID 153397556
tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate
CID 70104650
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate (CID 170545867) is tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)c2cccnc2n3COCC[Si](C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate?
The InChIKey is XRERBCVUFILJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3Si/c1-26(2,3)33-25(31)29-14-12-28(13-15-29)20-9-10-23-22(18-20)21-8-7-11-27-24(21)30(23)19-32-16-17-34(4,5)6/h7-11,18H,12-17,19H2,1-6H3.
What are the key properties of tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate?
tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate has a molecular weight of 482.70 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[9-(2-trimethylsilylethoxymethyl)pyrido[2,3-b]indol-6-yl]piperazine-1-carboxylate is sourced from PubChem (CID 170545867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).