3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione

C14H25N3O3 — CID 79078125

IUPAC3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CC2CN(C)CCO2)C1=O
InChIInChI=1S/C14H25N3O3/c1-5-14(3)13(19)17(10(2)12(18)15-14)9-11-8-16(4)6-7-20-11/h10-11H,5-9H2,1-4H3,(H,15,18)
InChIKeyBKJDEEBBVOOJNF-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.17
Rot. Bonds3

About 3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione (PubChem CID 79078125) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
PubChem CID79078125
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CC2CN(C)CCO2)C1=O
InChIInChI=1S/C14H25N3O3/c1-5-14(3)13(19)17(10(2)12(18)15-14)9-11-8-16(4)6-7-20-11/h10-11H,5-9H2,1-4H3,(H,15,18)
InChIKeyBKJDEEBBVOOJNF-UHFFFAOYSA-N
XLogP-0.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione (CID 79078125) is 3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(CC2CN(C)CCO2)C1=O.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is BKJDEEBBVOOJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-14(3)13(19)17(10(2)12(18)15-14)9-11-8-16(4)6-7-20-11/h10-11H,5-9H2,1-4H3,(H,15,18).
What are the key properties of 3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 283.37 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 79078125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).