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

C15H27N3O3 — CID 79070914

IUPAC3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(CC2CN(C)CCO2)C1=O
InChIInChI=1S/C15H27N3O3/c1-5-15(6-2)14(20)18(11(3)13(19)16-15)10-12-9-17(4)7-8-21-12/h11-12H,5-10H2,1-4H3,(H,16,19)
InChIKeyJCNFMNJEMORPSN-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.22
Rot. Bonds4

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

3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione (PubChem CID 79070914) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
PubChem CID79070914
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(CC2CN(C)CCO2)C1=O
InChIInChI=1S/C15H27N3O3/c1-5-15(6-2)14(20)18(11(3)13(19)16-15)10-12-9-17(4)7-8-21-12/h11-12H,5-10H2,1-4H3,(H,16,19)
InChIKeyJCNFMNJEMORPSN-UHFFFAOYSA-N
XLogP0.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078125
3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione
CID 113464217
5-methyl-1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777205
5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83259028
3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64884815
3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64884818
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126
3,3-diethyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459079
1-[(4-methylmorpholin-2-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777308
3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 79071601
3-methyl-2-[(4-methylmorpholin-2-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916937
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione (CID 79070914) is 3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(CC2CN(C)CCO2)C1=O.
What is the InChIKey of 3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is JCNFMNJEMORPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-5-15(6-2)14(20)18(11(3)13(19)16-15)10-12-9-17(4)7-8-21-12/h11-12H,5-10H2,1-4H3,(H,16,19).
What are the key properties of 3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione?
3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 297.40 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 79070914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).