ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate

C23H39N7O3 — CID 20526073

IUPACethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate
SMILESCCOC(=O)/C=N/c1nc(NC2CC(C)(C)N(CCO)C(C)(C)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C23H39N7O3/c1-6-33-18(32)16-24-19-26-20(28-21(27-19)29-10-8-7-9-11-29)25-17-14-22(2,3)30(12-13-31)23(4,5)15-17/h16-17,31H,6-15H2,1-5H3,(H,25,26,27,28)/b24-16+
InChIKeyAGNXEDMEENSRAQ-LFVJCYFKSA-N
MW461.61 g/mol
LogP2.55
Rot. Bonds8

About ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate

ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate (PubChem CID 20526073) has the molecular formula C23H39N7O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate
PubChem CID20526073
Molecular FormulaC23H39N7O3
Molecular Weight461.61 g/mol
Exact Mass461.31
IUPAC Nameethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate
SMILESCCOC(=O)/C=N/c1nc(NC2CC(C)(C)N(CCO)C(C)(C)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C23H39N7O3/c1-6-33-18(32)16-24-19-26-20(28-21(27-19)29-10-8-7-9-11-29)25-17-14-22(2,3)30(12-13-31)23(4,5)15-17/h16-17,31H,6-15H2,1-5H3,(H,25,26,27,28)/b24-16+
InChIKeyAGNXEDMEENSRAQ-LFVJCYFKSA-N
XLogP2.55
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate?
The IUPAC name of ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate (CID 20526073) is ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate.
What is the SMILES notation for ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate?
The canonical SMILES for ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate is CCOC(=O)/C=N/c1nc(NC2CC(C)(C)N(CCO)C(C)(C)C2)nc(N2CCCCC2)n1.
What is the InChIKey of ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate?
The InChIKey is AGNXEDMEENSRAQ-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H39N7O3/c1-6-33-18(32)16-24-19-26-20(28-21(27-19)29-10-8-7-9-11-29)25-17-14-22(2,3)30(12-13-31)23(4,5)15-17/h16-17,31H,6-15H2,1-5H3,(H,25,26,27,28)/b24-16+.
What are the key properties of ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate?
ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate has a molecular weight of 461.61 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[[4-[[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]imino]acetate is sourced from PubChem (CID 20526073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).