1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde

C20H27N3O5Si — CID 176886253

IUPAC1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde
SMILESCn1c(=O)n(C2CCC(=O)N(COCC[Si](C)(C)C)C2=O)c2ccc(C=O)cc21
InChIInChI=1S/C20H27N3O5Si/c1-21-17-11-14(12-24)5-6-15(17)23(20(21)27)16-7-8-18(25)22(19(16)26)13-28-9-10-29(2,3)4/h5-6,11-12,16H,7-10,13H2,1-4H3
InChIKeyFLUPZBVRZWUMAS-UHFFFAOYSA-N
MW417.54 g/mol
LogP2.15
Rot. Bonds7

About 1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde

1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde (PubChem CID 176886253) has the molecular formula C20H27N3O5Si and a molecular weight of 417.54 g/mol. Its IUPAC name is 1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde
PubChem CID176886253
Molecular FormulaC20H27N3O5Si
Molecular Weight417.54 g/mol
Exact Mass417.17
IUPAC Name1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde
SMILESCn1c(=O)n(C2CCC(=O)N(COCC[Si](C)(C)C)C2=O)c2ccc(C=O)cc21
InChIInChI=1S/C20H27N3O5Si/c1-21-17-11-14(12-24)5-6-15(17)23(20(21)27)16-7-8-18(25)22(19(16)26)13-28-9-10-29(2,3)4/h5-6,11-12,16H,7-10,13H2,1-4H3
InChIKeyFLUPZBVRZWUMAS-UHFFFAOYSA-N
XLogP2.15
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[[1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]amino]cyclobutyl]carbamate
CID 176886457
benzyl 4-[[1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperazine-1-carboxylate
CID 176886388
3-(2-methoxyethyl)-1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-2-oxobenzimidazole-5-carbaldehyde
CID 177302294
3-(7-nitro-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 176886421
3-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]-4-methoxybenzaldehyde
CID 176705952
3-[7-[methyl(piperidin-4-yl)amino]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 176886294
3-(14-oxospiro[1,4,13-triazatetracyclo[7.5.2.04,16.012,15]hexadeca-9(16),10,12(15)-triene-6,4'-piperidine]-13-yl)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 178173807
6-fluoro-1-[1-[(4-methoxyphenyl)methyl]-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde
CID 177302355
(2,4,6-trichlorophenyl) (2S,6S)-13-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-14-oxo-4,7-dioxa-1,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-8,10,12(15)-triene-9-carboxylate
CID 176886550
3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 168874537
3-[6-[(3R,4S)-4-methyloxolan-3-yl]oxy-3-oxo-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 153312981
3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde
CID 58407607

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde?
The IUPAC name of 1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde (CID 176886253) is 1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde.
What is the SMILES notation for 1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde?
The canonical SMILES for 1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde is Cn1c(=O)n(C2CCC(=O)N(COCC[Si](C)(C)C)C2=O)c2ccc(C=O)cc21.
What is the InChIKey of 1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde?
The InChIKey is FLUPZBVRZWUMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5Si/c1-21-17-11-14(12-24)5-6-15(17)23(20(21)27)16-7-8-18(25)22(19(16)26)13-28-9-10-29(2,3)4/h5-6,11-12,16H,7-10,13H2,1-4H3.
What are the key properties of 1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde?
1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde has a molecular weight of 417.54 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde is sourced from PubChem (CID 176886253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).