3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione

C15H19N3O3 — CID 64970576

IUPAC3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione
SMILESCC1NC(=O)CN(c2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C15H19N3O3/c1-11-15(20)18(10-14(19)16-11)13-4-2-12(3-5-13)17-6-8-21-9-7-17/h2-5,11H,6-10H2,1H3,(H,16,19)
InChIKeyDCAWMVMDVSZZQJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.37
Rot. Bonds2

About 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione

3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione (PubChem CID 64970576) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione
PubChem CID64970576
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione
SMILESCC1NC(=O)CN(c2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C15H19N3O3/c1-11-15(20)18(10-14(19)16-11)13-4-2-12(3-5-13)17-6-8-21-9-7-17/h2-5,11H,6-10H2,1H3,(H,16,19)
InChIKeyDCAWMVMDVSZZQJ-UHFFFAOYSA-N
XLogP0.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-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-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione
CID 64968773
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione
CID 79047089
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione
CID 64955695
5,5-dimethyl-3-(4-morpholin-4-ylphenyl)imidazolidine-2,4-dione
CID 69342956
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride
CID 153408830
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione
CID 64957687
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione (CID 64970576) is 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione is CC1NC(=O)CN(c2ccc(N3CCOCC3)cc2)C1=O.
What is the InChIKey of 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione?
The InChIKey is DCAWMVMDVSZZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-15(20)18(10-14(19)16-11)13-4-2-12(3-5-13)17-6-8-21-9-7-17/h2-5,11H,6-10H2,1H3,(H,16,19).
What are the key properties of 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione?
3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione has a molecular weight of 289.34 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64970576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).