3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione

C14H17N3O3 — CID 2947390

IUPAC3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1
InChIInChI=1S/C14H17N3O3/c18-13-9-12(14(19)16-13)15-10-1-3-11(4-2-10)17-5-7-20-8-6-17/h1-4,12,15H,5-9H2,(H,16,18,19)
InChIKeySUSPBDYVPOSFLU-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.35
Rot. Bonds3

About 3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione

3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (PubChem CID 2947390) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
PubChem CID2947390
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1
InChIInChI=1S/C14H17N3O3/c18-13-9-12(14(19)16-13)15-10-1-3-11(4-2-10)17-5-7-20-8-6-17/h1-4,12,15H,5-9H2,(H,16,18,19)
InChIKeySUSPBDYVPOSFLU-UHFFFAOYSA-N
XLogP0.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923
(3S)-1-(4-iodophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 40588175
4-(4-morpholin-4-ylanilino)azepan-2-one
CID 63888088
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrrolidine-2,5-dione
CID 43637820
3-[4-(4-tert-butyl-4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
CID 168735312
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183
3-[4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)anilino]piperidine-2,6-dione
CID 170749022
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
(3R)-1-(2-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1143854
(3S)-1-(4-methoxyphenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 986889
(3S)-1-[4-(dimethylamino)phenyl]-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 1090068

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione (CID 2947390) is 3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1.
What is the InChIKey of 3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
The InChIKey is SUSPBDYVPOSFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13-9-12(14(19)16-13)15-10-1-3-11(4-2-10)17-5-7-20-8-6-17/h1-4,12,15H,5-9H2,(H,16,18,19).
What are the key properties of 3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione?
3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione has a molecular weight of 275.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2947390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).