1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione

C12H19N3O3 — CID 64656132

IUPAC1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC2CCC(=O)N(C)C2)C1=O
InChIInChI=1S/C12H19N3O3/c1-3-15-11(17)6-9(12(15)18)13-8-4-5-10(16)14(2)7-8/h8-9,13H,3-7H2,1-2H3
InChIKeyQZPSMBUPEJNHBV-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.66
Rot. Bonds3

About 1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione

1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione (PubChem CID 64656132) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
PubChem CID64656132
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NC2CCC(=O)N(C)C2)C1=O
InChIInChI=1S/C12H19N3O3/c1-3-15-11(17)6-9(12(15)18)13-8-4-5-10(16)14(2)7-8/h8-9,13H,3-7H2,1-2H3
InChIKeyQZPSMBUPEJNHBV-UHFFFAOYSA-N
XLogP-0.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione (CID 64656132) is 1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione is CCN1C(=O)CC(NC2CCC(=O)N(C)C2)C1=O.
What is the InChIKey of 1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is QZPSMBUPEJNHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-15-11(17)6-9(12(15)18)13-8-4-5-10(16)14(2)7-8/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione?
1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 253.30 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-methyl-6-oxopiperidin-3-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 64656132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).