2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone

C13H25N3O2 — CID 70906991

IUPAC2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCOC(C)(C)C2)CC1
InChIInChI=1S/C13H25N3O2/c1-13(2)11-15(8-9-18-13)10-12(17)16-6-4-14(3)5-7-16/h4-11H2,1-3H3
InChIKeyOMWYRPRORLHRSU-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.13
Rot. Bonds2

About 2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 70906991) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID70906991
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCOC(C)(C)C2)CC1
InChIInChI=1S/C13H25N3O2/c1-13(2)11-15(8-9-18-13)10-12(17)16-6-4-14(3)5-7-16/h4-11H2,1-3H3
InChIKeyOMWYRPRORLHRSU-UHFFFAOYSA-N
XLogP-0.13
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 70906991) is 2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN2CCOC(C)(C)C2)CC1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is OMWYRPRORLHRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2)11-15(8-9-18-13)10-12(17)16-6-4-14(3)5-7-16/h4-11H2,1-3H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 255.36 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 70906991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).