4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide

C63H111N9O6 — CID 19831389

IUPAC4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide
SMILESCCCCN(CCCC)C(=O)c1nc(C(=O)N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(C(=O)N(C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1
InChIInChI=1S/C63H111N9O6/c1-16-19-37-67(38-20-17-2)55(73)52-64-53(56(74)68(39-21-18-3)46-40-58(4,5)70(59(6,7)41-46)76-49-31-25-22-26-32-49)66-54(65-52)57(75)69(47-42-60(8,9)71(61(10,11)43-47)77-50-33-27-23-28-34-50)48-44-62(12,13)72(63(14,15)45-48)78-51-35-29-24-30-36-51/h46-51H,16-45H2,1-15H3
InChIKeyXFSPMWFPWKTDTC-UHFFFAOYSA-N
MW1090.64 g/mol
LogP13.46
Rot. Bonds21

About 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide

4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide (PubChem CID 19831389) has the molecular formula C63H111N9O6 and a molecular weight of 1090.64 g/mol. Its IUPAC name is 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide.

Molecular Properties

Compound Name4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide
PubChem CID19831389
Molecular FormulaC63H111N9O6
Molecular Weight1090.64 g/mol
Exact Mass1089.87
IUPAC Name4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide
SMILESCCCCN(CCCC)C(=O)c1nc(C(=O)N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(C(=O)N(C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1
InChIInChI=1S/C63H111N9O6/c1-16-19-37-67(38-20-17-2)55(73)52-64-53(56(74)68(39-21-18-3)46-40-58(4,5)70(59(6,7)41-46)76-49-31-25-22-26-32-49)66-54(65-52)57(75)69(47-42-60(8,9)71(61(10,11)43-47)77-50-33-27-23-28-34-50)48-44-62(12,13)72(63(14,15)45-48)78-51-35-29-24-30-36-51/h46-51H,16-45H2,1-15H3
InChIKeyXFSPMWFPWKTDTC-UHFFFAOYSA-N
XLogP13.46
TPSA137.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001090.64
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide?
The IUPAC name of 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide (CID 19831389) is 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide.
What is the SMILES notation for 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide?
The canonical SMILES for 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide is CCCCN(CCCC)C(=O)c1nc(C(=O)N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(C(=O)N(C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1.
What is the InChIKey of 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide?
The InChIKey is XFSPMWFPWKTDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H111N9O6/c1-16-19-37-67(38-20-17-2)55(73)52-64-53(56(74)68(39-21-18-3)46-40-58(4,5)70(59(6,7)41-46)76-49-31-25-22-26-32-49)66-54(65-52)57(75)69(47-42-60(8,9)71(61(10,11)43-47)77-50-33-27-23-28-34-50)48-44-62(12,13)72(63(14,15)45-48)78-51-35-29-24-30-36-51/h46-51H,16-45H2,1-15H3.
What are the key properties of 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide?
4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide has a molecular weight of 1090.64 g/mol, XLogP of 13.46, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,6-N-tributyl-2-N,2-N,4-N-tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-tricarboxamide is sourced from PubChem (CID 19831389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).