methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate

C20H25N5O4 — CID 1251575

IUPACmethyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H25N5O4/c1-27-17(26)15-5-7-16(8-6-15)29-20-22-18(24-9-3-2-4-10-24)21-19(23-20)25-11-13-28-14-12-25/h5-8H,2-4,9-14H2,1H3
InChIKeyYRFFAYNUEWAKEA-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.28
Rot. Bonds5

About methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate

methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate (PubChem CID 1251575) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate
PubChem CID1251575
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Namemethyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H25N5O4/c1-27-17(26)15-5-7-16(8-6-15)29-20-22-18(24-9-3-2-4-10-24)21-19(23-20)25-11-13-28-14-12-25/h5-8H,2-4,9-14H2,1H3
InChIKeyYRFFAYNUEWAKEA-UHFFFAOYSA-N
XLogP2.28
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The IUPAC name of methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate (CID 1251575) is methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The canonical SMILES for methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate is COC(=O)c1ccc(Oc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The InChIKey is YRFFAYNUEWAKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-27-17(26)15-5-7-16(8-6-15)29-20-22-18(24-9-3-2-4-10-24)21-19(23-20)25-11-13-28-14-12-25/h5-8H,2-4,9-14H2,1H3.
What are the key properties of methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate?
methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate has a molecular weight of 399.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzoate is sourced from PubChem (CID 1251575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).