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

C15H27N3O3 — CID 79071601

IUPAC3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CC2CN(C)CCO2)C1=O
InChIInChI=1S/C15H27N3O3/c1-5-12-15(20)18(13(10(2)3)14(19)16-12)9-11-8-17(4)6-7-21-11/h10-13H,5-9H2,1-4H3,(H,16,19)
InChIKeyYPDFWVMQLHNCRV-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.08
Rot. Bonds4

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

3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 79071601) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID79071601
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CC2CN(C)CCO2)C1=O
InChIInChI=1S/C15H27N3O3/c1-5-12-15(20)18(13(10(2)3)14(19)16-12)9-11-8-17(4)6-7-21-11/h10-13H,5-9H2,1-4H3,(H,16,19)
InChIKeyYPDFWVMQLHNCRV-UHFFFAOYSA-N
XLogP0.08
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 ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-[(5-methyloxolan-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 103141807
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141809
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
3-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078126
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64966902
3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 115943732
5-methyl-3-[(4-methylmorpholin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83259028
6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874947

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 79071601) is 3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(CC2CN(C)CCO2)C1=O.
What is the InChIKey of 3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is YPDFWVMQLHNCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-5-12-15(20)18(13(10(2)3)14(19)16-12)9-11-8-17(4)6-7-21-11/h10-13H,5-9H2,1-4H3,(H,16,19).
What are the key properties of 3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 297.40 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 79071601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).