(2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate

C28H30Cl3N3O6Si — CID 176886400

IUPAC(2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate
SMILESC[Si](C)(C)CCOCN1C(=O)CCC(n2c(=O)n3c4c(c(C(=O)Oc5c(Cl)cc(Cl)cc5Cl)ccc42)CCC3)C1=O
InChIInChI=1S/C28H30Cl3N3O6Si/c1-41(2,3)12-11-39-15-33-23(35)9-8-22(26(33)36)34-21-7-6-18(17-5-4-10-32(24(17)21)28(34)38)27(37)40-25-19(30)13-16(29)14-20(25)31/h6-7,13-14,22H,4-5,8-12,15H2,1-3H3
InChIKeySXZWAXBATNHKSE-UHFFFAOYSA-N
MW639.01 g/mol
LogP5.93
Rot. Bonds8

About (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate

(2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate (PubChem CID 176886400) has the molecular formula C28H30Cl3N3O6Si and a molecular weight of 639.01 g/mol. Its IUPAC name is (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate.

Molecular Properties

Compound Name(2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate
PubChem CID176886400
Molecular FormulaC28H30Cl3N3O6Si
Molecular Weight639.01 g/mol
Exact Mass637.10
IUPAC Name(2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate
SMILESC[Si](C)(C)CCOCN1C(=O)CCC(n2c(=O)n3c4c(c(C(=O)Oc5c(Cl)cc(Cl)cc5Cl)ccc42)CCC3)C1=O
InChIInChI=1S/C28H30Cl3N3O6Si/c1-41(2,3)12-11-39-15-33-23(35)9-8-22(26(33)36)34-21-7-6-18(17-5-4-10-32(24(17)21)28(34)38)27(37)40-25-19(30)13-16(29)14-20(25)31/h6-7,13-14,22H,4-5,8-12,15H2,1-3H3
InChIKeySXZWAXBATNHKSE-UHFFFAOYSA-N
XLogP5.93
TPSA99.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.01
LogP ≤ 55.93
H-Bond Donors ≤ 50
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': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate?
The IUPAC name of (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate (CID 176886400) is (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate.
What is the SMILES notation for (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate?
The canonical SMILES for (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate is C[Si](C)(C)CCOCN1C(=O)CCC(n2c(=O)n3c4c(c(C(=O)Oc5c(Cl)cc(Cl)cc5Cl)ccc42)CCC3)C1=O.
What is the InChIKey of (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate?
The InChIKey is SXZWAXBATNHKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl3N3O6Si/c1-41(2,3)12-11-39-15-33-23(35)9-8-22(26(33)36)34-21-7-6-18(17-5-4-10-32(24(17)21)28(34)38)27(37)40-25-19(30)13-16(29)14-20(25)31/h6-7,13-14,22H,4-5,8-12,15H2,1-3H3.
What are the key properties of (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate?
(2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate has a molecular weight of 639.01 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trichlorophenyl) 3-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-7-carboxylate is sourced from PubChem (CID 176886400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).