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

C15H19N3O3 — CID 117467423

IUPAC1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione
SMILESCN1CCN(c2ccc(C3CNCCO3)cc2)C(=O)C1=O
InChIInChI=1S/C15H19N3O3/c1-17-7-8-18(15(20)14(17)19)12-4-2-11(3-5-12)13-10-16-6-9-21-13/h2-5,13,16H,6-10H2,1H3
InChIKeyXOTGNIAUTIUNAC-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.15
Rot. Bonds2

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

1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione (PubChem CID 117467423) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione
PubChem CID117467423
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione
SMILESCN1CCN(c2ccc(C3CNCCO3)cc2)C(=O)C1=O
InChIInChI=1S/C15H19N3O3/c1-17-7-8-18(15(20)14(17)19)12-4-2-11(3-5-12)13-10-16-6-9-21-13/h2-5,13,16H,6-10H2,1H3
InChIKeyXOTGNIAUTIUNAC-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
(2S)-2-[4-(5-methyl-2H-oxadiazol-3-yl)phenyl]morpholine
CID 67135313
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
2-(1-methylpyrrol-3-yl)morpholine
CID 82280335
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
azane;2-phenylmorpholine
CID 174664757
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]morpholine
CID 117405594
1-methyl-4-[4-(piperidin-4-ylmethyl)phenyl]piperazine-2,3-dione
CID 117485669
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione
CID 64533654
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
2-(3,4-dimethylphenyl)morpholine
CID 43169342

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione?
The IUPAC name of 1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione (CID 117467423) is 1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione?
The canonical SMILES for 1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione is CN1CCN(c2ccc(C3CNCCO3)cc2)C(=O)C1=O.
What is the InChIKey of 1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione?
The InChIKey is XOTGNIAUTIUNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-7-8-18(15(20)14(17)19)12-4-2-11(3-5-12)13-10-16-6-9-21-13/h2-5,13,16H,6-10H2,1H3.
What are the key properties of 1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione?
1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione has a molecular weight of 289.34 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-morpholin-2-ylphenyl)piperazine-2,3-dione is sourced from PubChem (CID 117467423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).