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

C28H41N5O4Si — CID 178173807

IUPAC3-(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
SMILESC[Si](C)(C)CCOCN1C(=O)CCC(n2c(=O)n3c4c5c(ccc42)CCC2(CCNCC2)CN5CC3)C1=O
InChIInChI=1S/C28H41N5O4Si/c1-38(2,3)17-16-37-19-32-23(34)7-6-22(26(32)35)33-21-5-4-20-8-9-28(10-12-29-13-11-28)18-30-14-15-31(27(33)36)25(21)24(20)30/h4-5,22,29H,6-19H2,1-3H3
InChIKeyXWILINFKPOUADL-UHFFFAOYSA-N
MW539.75 g/mol
LogP2.94
Rot. Bonds6

About 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

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 (PubChem CID 178173807) has the molecular formula C28H41N5O4Si and a molecular weight of 539.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID178173807
Molecular FormulaC28H41N5O4Si
Molecular Weight539.75 g/mol
Exact Mass539.29
IUPAC Name3-(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
SMILESC[Si](C)(C)CCOCN1C(=O)CCC(n2c(=O)n3c4c5c(ccc42)CCC2(CCNCC2)CN5CC3)C1=O
InChIInChI=1S/C28H41N5O4Si/c1-38(2,3)17-16-37-19-32-23(34)7-6-22(26(32)35)33-21-5-4-20-8-9-28(10-12-29-13-11-28)18-30-14-15-31(27(33)36)25(21)24(20)30/h4-5,22,29H,6-19H2,1-3H3
InChIKeyXWILINFKPOUADL-UHFFFAOYSA-N
XLogP2.94
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.75
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-(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 with MolForge

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Related Compounds

3-[4-[1-[(4-Fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 163378041
3-[5-[1-[(4-Fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176151693
3-[7-Fluoro-3-methyl-2-oxo-5-(piperazin-1-ylmethyl)benzimidazol-1-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 176886395
3-[5-[[4-[(4-Fluoropiperidin-4-yl)methyl]piperazin-1-yl]methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 177301983
Tert-butyl 4-[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 138695350
3-[3-Methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione
CID 138695616
Tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 146598399
3-[4-(3,9-Diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146598437
3-[3-Methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione
CID 146598524
3-[3-Methyl-2-oxo-4-[(4-piperidin-4-yloxypiperidin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione;dihydrochloride
CID 146599117
3-[4-[3-(3,9-Diazaspiro[5.5]undecan-3-yl)propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146599142
Tert-butyl 4-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 146599216

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(C)CCOCN1C(=O)CCC(n2c(=O)n3c4c5c(ccc42)CCC2(CCNCC2)CN5CC3)C1=O.
What is the InChIKey of 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?
The InChIKey is XWILINFKPOUADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O4Si/c1-38(2,3)17-16-37-19-32-23(34)7-6-22(26(32)35)33-21-5-4-20-8-9-28(10-12-29-13-11-28)18-30-14-15-31(27(33)36)25(21)24(20)30/h4-5,22,29H,6-19H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 539.75 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178173807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).