[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate

C24H38N6O4 — CID 19991765

IUPAC[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(C)(C)N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C(C)(C)C1
InChIInChI=1S/C24H38N6O4/c1-17(2)19(31)34-18-15-23(3,4)30(24(5,6)16-18)22-26-20(28-7-11-32-12-8-28)25-21(27-22)29-9-13-33-14-10-29/h18H,1,7-16H2,2-6H3
InChIKeyIBMJJTIQRMRUKR-UHFFFAOYSA-N
MW474.61 g/mol
LogP2.19
Rot. Bonds5

About [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate

[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate (PubChem CID 19991765) has the molecular formula C24H38N6O4 and a molecular weight of 474.61 g/mol. Its IUPAC name is [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate
PubChem CID19991765
Molecular FormulaC24H38N6O4
Molecular Weight474.61 g/mol
Exact Mass474.30
IUPAC Name[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(C)(C)N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C(C)(C)C1
InChIInChI=1S/C24H38N6O4/c1-17(2)19(31)34-18-15-23(3,4)30(24(5,6)16-18)22-26-20(28-7-11-32-12-8-28)25-21(27-22)29-9-13-33-14-10-29/h18H,1,7-16H2,2-6H3
InChIKeyIBMJJTIQRMRUKR-UHFFFAOYSA-N
XLogP2.19
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1,1,2,2,6,6-hexamethylpiperidin-1-ium-4-yl) 2-methylprop-2-enoate
CID 134380283
N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)octane-1,8-diamine;1,2,2,6,6-pentamethylpiperidin-4-one;2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl 2-methylprop-2-enoate
CID 91006145
(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
CID 54028035
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 68926245
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122254955
methyl 3-morpholin-4-yl-1H-1,2,4-triazole-5-carboxylate
CID 67294429
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol;[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158735519
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
4-[4-chloro-6-(4-methyl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 62868686
4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80750111

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate (CID 19991765) is [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC(C)(C)N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C(C)(C)C1.
What is the InChIKey of [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate?
The InChIKey is IBMJJTIQRMRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O4/c1-17(2)19(31)34-18-15-23(3,4)30(24(5,6)16-18)22-26-20(28-7-11-32-12-8-28)25-21(27-22)29-9-13-33-14-10-29/h18H,1,7-16H2,2-6H3.
What are the key properties of [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate?
[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate has a molecular weight of 474.61 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 19991765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).