tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate

C50H81N5O2Si2 — CID 58512509

IUPACtert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCN(C)CC2)c2ccc(Nc3ccc4c(c3)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn4[Si](C(C)C)(C(C)C)C(C)C)cc21
InChIInChI=1S/C50H81N5O2Si2/c1-33(2)58(34(3)4,35(5)6)54-32-46(40-23-27-53(28-24-40)49(56)57-50(13,14)15)44-29-41(18-20-47(44)54)51-42-17-19-43-45(39-21-25-52(16)26-22-39)31-55(48(43)30-42)59(36(7)8,37(9)10)38(11)12/h17-20,29-40,51H,21-28H2,1-16H3
InChIKeyNSJVYXGMLYOOOW-UHFFFAOYSA-N
MW840.40 g/mol
LogP14.31
Rot. Bonds12

About tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate (PubChem CID 58512509) has the molecular formula C50H81N5O2Si2 and a molecular weight of 840.40 g/mol. Its IUPAC name is tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate
PubChem CID58512509
Molecular FormulaC50H81N5O2Si2
Molecular Weight840.40 g/mol
Exact Mass839.59
IUPAC Nametert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCN(C)CC2)c2ccc(Nc3ccc4c(c3)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn4[Si](C(C)C)(C(C)C)C(C)C)cc21
InChIInChI=1S/C50H81N5O2Si2/c1-33(2)58(34(3)4,35(5)6)54-32-46(40-23-27-53(28-24-40)49(56)57-50(13,14)15)44-29-41(18-20-47(44)54)51-42-17-19-43-45(39-21-25-52(16)26-22-39)31-55(48(43)30-42)59(36(7)8,37(9)10)38(11)12/h17-20,29-40,51H,21-28H2,1-16H3
InChIKeyNSJVYXGMLYOOOW-UHFFFAOYSA-N
XLogP14.31
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.40
LogP ≤ 514.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate (CID 58512509) is tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate is CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCN(C)CC2)c2ccc(Nc3ccc4c(c3)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn4[Si](C(C)C)(C(C)C)C(C)C)cc21.
What is the InChIKey of tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate?
The InChIKey is NSJVYXGMLYOOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H81N5O2Si2/c1-33(2)58(34(3)4,35(5)6)54-32-46(40-23-27-53(28-24-40)49(56)57-50(13,14)15)44-29-41(18-20-47(44)54)51-42-17-19-43-45(39-21-25-52(16)26-22-39)31-55(48(43)30-42)59(36(7)8,37(9)10)38(11)12/h17-20,29-40,51H,21-28H2,1-16H3.
What are the key properties of tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate has a molecular weight of 840.40 g/mol, XLogP of 14.31, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58512509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).