[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate

C25H36N2O6 — CID 55308625

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
SMILESCC1CN(C(=O)C(C)OC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC(C)O1
InChIInChI=1S/C25H36N2O6/c1-16-7-6-8-17(2)27(16)23(28)15-31-22-11-9-21(10-12-22)25(30)33-20(5)24(29)26-13-18(3)32-19(4)14-26/h9-12,16-20H,6-8,13-15H2,1-5H3
InChIKeyIWEYSNVESDYPPD-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.04
Rot. Bonds6

About [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate

[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate (PubChem CID 55308625) has the molecular formula C25H36N2O6 and a molecular weight of 460.57 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
PubChem CID55308625
Molecular FormulaC25H36N2O6
Molecular Weight460.57 g/mol
Exact Mass460.26
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
SMILESCC1CN(C(=O)C(C)OC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC(C)O1
InChIInChI=1S/C25H36N2O6/c1-16-7-6-8-17(2)27(16)23(28)15-31-22-11-9-21(10-12-22)25(30)33-20(5)24(29)26-13-18(3)32-19(4)14-26/h9-12,16-20H,6-8,13-15H2,1-5H3
InChIKeyIWEYSNVESDYPPD-UHFFFAOYSA-N
XLogP3.04
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate (CID 55308625) is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate is CC1CN(C(=O)C(C)OC(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC(C)O1.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate?
The InChIKey is IWEYSNVESDYPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O6/c1-16-7-6-8-17(2)27(16)23(28)15-31-22-11-9-21(10-12-22)25(30)33-20(5)24(29)26-13-18(3)32-19(4)14-26/h9-12,16-20H,6-8,13-15H2,1-5H3.
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate?
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate has a molecular weight of 460.57 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate is sourced from PubChem (CID 55308625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).