(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate

C39H67N7O4 — CID 57298997

IUPAC(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate
SMILESCCCCN1C(C)(C)CC(COC(=O)C=Nc2nc(N=CC(=O)OCC3CC(C)(C)N(CCCC)C(C)(C)C3)nc(C(C)(C)C)n2)CC1(C)C
InChIInChI=1S/C39H67N7O4/c1-14-16-18-45-36(6,7)20-28(21-37(45,8)9)26-49-30(47)24-40-33-42-32(35(3,4)5)43-34(44-33)41-25-31(48)50-27-29-22-38(10,11)46(19-17-15-2)39(12,13)23-29/h24-25,28-29H,14-23,26-27H2,1-13H3
InChIKeyOMJXWXXJNMEKJJ-UHFFFAOYSA-N
MW698.01 g/mol
LogP7.80
Rot. Bonds14

About (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate

(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate (PubChem CID 57298997) has the molecular formula C39H67N7O4 and a molecular weight of 698.01 g/mol. Its IUPAC name is (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate.

Molecular Properties

Compound Name(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate
PubChem CID57298997
Molecular FormulaC39H67N7O4
Molecular Weight698.01 g/mol
Exact Mass697.53
IUPAC Name(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate
SMILESCCCCN1C(C)(C)CC(COC(=O)C=Nc2nc(N=CC(=O)OCC3CC(C)(C)N(CCCC)C(C)(C)C3)nc(C(C)(C)C)n2)CC1(C)C
InChIInChI=1S/C39H67N7O4/c1-14-16-18-45-36(6,7)20-28(21-37(45,8)9)26-49-30(47)24-40-33-42-32(35(3,4)5)43-34(44-33)41-25-31(48)50-27-29-22-38(10,11)46(19-17-15-2)39(12,13)23-29/h24-25,28-29H,14-23,26-27H2,1-13H3
InChIKeyOMJXWXXJNMEKJJ-UHFFFAOYSA-N
XLogP7.80
TPSA122.47 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500698.01
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate?
The IUPAC name of (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate (CID 57298997) is (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate.
What is the SMILES notation for (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate?
The canonical SMILES for (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate is CCCCN1C(C)(C)CC(COC(=O)C=Nc2nc(N=CC(=O)OCC3CC(C)(C)N(CCCC)C(C)(C)C3)nc(C(C)(C)C)n2)CC1(C)C.
What is the InChIKey of (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate?
The InChIKey is OMJXWXXJNMEKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H67N7O4/c1-14-16-18-45-36(6,7)20-28(21-37(45,8)9)26-49-30(47)24-40-33-42-32(35(3,4)5)43-34(44-33)41-25-31(48)50-27-29-22-38(10,11)46(19-17-15-2)39(12,13)23-29/h24-25,28-29H,14-23,26-27H2,1-13H3.
What are the key properties of (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate?
(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate has a molecular weight of 698.01 g/mol, XLogP of 7.80, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methyl 2-[[4-tert-butyl-6-[[2-[(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-2-oxoethylidene]amino]-1,3,5-triazin-2-yl]imino]acetate is sourced from PubChem (CID 57298997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).