benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate

C34H45N5O6Si — CID 169195066

IUPACbenzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate
SMILESCN(C)C(=O)c1cc(N2CCC(=O)N(COCC[Si](C)(C)C)C2=O)c2ccn(C3CCN(C(=O)OCc4ccccc4)CC3)c2c1
InChIInChI=1S/C34H45N5O6Si/c1-35(2)32(41)26-21-29-28(30(22-26)38-18-14-31(40)39(33(38)42)24-44-19-20-46(3,4)5)13-17-37(29)27-11-15-36(16-12-27)34(43)45-23-25-9-7-6-8-10-25/h6-10,13,17,21-22,27H,11-12,14-16,18-20,23-24H2,1-5H3
InChIKeyQNXUWYDQAOXEIK-UHFFFAOYSA-N
MW647.85 g/mol
LogP5.79
Rot. Bonds10

About benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate

benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate (PubChem CID 169195066) has the molecular formula C34H45N5O6Si and a molecular weight of 647.85 g/mol. Its IUPAC name is benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate
PubChem CID169195066
Molecular FormulaC34H45N5O6Si
Molecular Weight647.85 g/mol
Exact Mass647.31
IUPAC Namebenzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate
SMILESCN(C)C(=O)c1cc(N2CCC(=O)N(COCC[Si](C)(C)C)C2=O)c2ccn(C3CCN(C(=O)OCc4ccccc4)CC3)c2c1
InChIInChI=1S/C34H45N5O6Si/c1-35(2)32(41)26-21-29-28(30(22-26)38-18-14-31(40)39(33(38)42)24-44-19-20-46(3,4)5)13-17-37(29)27-11-15-36(16-12-27)34(43)45-23-25-9-7-6-8-10-25/h6-10,13,17,21-22,27H,11-12,14-16,18-20,23-24H2,1-5H3
InChIKeyQNXUWYDQAOXEIK-UHFFFAOYSA-N
XLogP5.79
TPSA104.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.85
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl 4-[[1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperazine-1-carboxylate
CID 176886388
benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
CID 134957623
benzyl 4-[[1-[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methoxy]piperidine-1-carboxylate
CID 178161357
benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
CID 122631004
benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
CID 156613475
benzyl 4-[5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3H-indol-1-yl]piperidine-1-carboxylate
CID 71744038
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (5S)-4-hydroxy-5-methoxyazepane-1-carboxylate
CID 118230308
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982
3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde
CID 176705952
benzyl N-[[5-cyclopropyl-7-(3-methyl-2,4-dioxoimidazolidin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-N-methylcarbamate
CID 165134099
1-O-benzyl 4-O-pyridin-3-yl piperazine-1,4-dicarboxylate
CID 58417900

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate (CID 169195066) is benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate is CN(C)C(=O)c1cc(N2CCC(=O)N(COCC[Si](C)(C)C)C2=O)c2ccn(C3CCN(C(=O)OCc4ccccc4)CC3)c2c1.
What is the InChIKey of benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate?
The InChIKey is QNXUWYDQAOXEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N5O6Si/c1-35(2)32(41)26-21-29-28(30(22-26)38-18-14-31(40)39(33(38)42)24-44-19-20-46(3,4)5)13-17-37(29)27-11-15-36(16-12-27)34(43)45-23-25-9-7-6-8-10-25/h6-10,13,17,21-22,27H,11-12,14-16,18-20,23-24H2,1-5H3.
What are the key properties of benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate?
benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate has a molecular weight of 647.85 g/mol, XLogP of 5.79, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 169195066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).