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

C27H41N5O4Si — CID 176886294

IUPAC3-[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
SMILESCN(c1ccc2c3c1CCCn3c(=O)n2C1CCC(=O)N(COCC[Si](C)(C)C)C1=O)C1CCNCC1
InChIInChI=1S/C27H41N5O4Si/c1-29(19-11-13-28-14-12-19)21-7-8-22-25-20(21)6-5-15-30(25)27(35)32(22)23-9-10-24(33)31(26(23)34)18-36-16-17-37(2,3)4/h7-8,19,23,28H,5-6,9-18H2,1-4H3
InChIKeyBDEQJQDJBZAWKJ-UHFFFAOYSA-N
MW527.74 g/mol
LogP2.94
Rot. Bonds8

About 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

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 (PubChem CID 176886294) has the molecular formula C27H41N5O4Si and a molecular weight of 527.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID176886294
Molecular FormulaC27H41N5O4Si
Molecular Weight527.74 g/mol
Exact Mass527.29
IUPAC Name3-[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
SMILESCN(c1ccc2c3c1CCCn3c(=O)n2C1CCC(=O)N(COCC[Si](C)(C)C)C1=O)C1CCNCC1
InChIInChI=1S/C27H41N5O4Si/c1-29(19-11-13-28-14-12-19)21-7-8-22-25-20(21)6-5-15-30(25)27(35)32(22)23-9-10-24(33)31(26(23)34)18-36-16-17-37(2,3)4/h7-8,19,23,28H,5-6,9-18H2,1-4H3
InChIKeyBDEQJQDJBZAWKJ-UHFFFAOYSA-N
XLogP2.94
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(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
1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde
CID 176886253
tert-butyl (3R)-3-(chloromethyl)-4-[[3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-7-yl]methyl]piperazine-1-carboxylate
CID 178173827
benzyl 4-[[1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperazine-1-carboxylate
CID 176886388
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
(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
[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]methyl-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 174050252
3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 174035651
3-[9-[2-[2-[4-[[2-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl-(3,3,3-trifluoro-2,2-dimethylpropyl)amino]methyl]phenoxy]-7-azaspiro[3.5]nonan-7-yl]acetyl]-2-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 176886418
tert-butyl (3R)-3-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]piperidine-1-carboxylate
CID 166154254

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ccc2c3c1CCCn3c(=O)n2C1CCC(=O)N(COCC[Si](C)(C)C)C1=O)C1CCNCC1.
What is the InChIKey of 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?
The InChIKey is BDEQJQDJBZAWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O4Si/c1-29(19-11-13-28-14-12-19)21-7-8-22-25-20(21)6-5-15-30(25)27(35)32(22)23-9-10-24(33)31(26(23)34)18-36-16-17-37(2,3)4/h7-8,19,23,28H,5-6,9-18H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 527.74 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176886294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).