1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione

C16H20N2O3 — CID 6458645

IUPAC1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCc1ccc(CN2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)11-18-15(19)10-14(16(18)20)17-6-8-21-9-7-17/h2-5,14H,6-11H2,1H3
InChIKeyQXLMIQHNNNGYBE-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.95
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione

1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione (PubChem CID 6458645) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
PubChem CID6458645
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
SMILESCc1ccc(CN2C(=O)CC(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)11-18-15(19)10-14(16(18)20)17-6-8-21-9-7-17/h2-5,14H,6-11H2,1H3
InChIKeyQXLMIQHNNNGYBE-UHFFFAOYSA-N
XLogP0.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
(3R)-1-[(4-methylphenyl)methyl]-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 7455960
1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 155114949
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 7305351
1-[(4-chlorophenyl)methyl]-3-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 17391217
(3R)-1-(2,6-dimethylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2689028
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
1-benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
(3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione
CID 99107501
(3aR)-5-[(4-methylphenyl)methyl]-7-morpholin-4-ylsulfonyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
CID 40783232
4-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 98410970
(3S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2118343

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione (CID 6458645) is 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione is Cc1ccc(CN2C(=O)CC(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
The InChIKey is QXLMIQHNNNGYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)11-18-15(19)10-14(16(18)20)17-6-8-21-9-7-17/h2-5,14H,6-11H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione?
1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-morpholin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 6458645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).