3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione

C13H21N3O3 — CID 127038269

IUPAC3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C(C)C(=O)N2CCN(C)CC2)C1=O
InChIInChI=1S/C13H21N3O3/c1-9-8-11(17)16(12(9)18)10(2)13(19)15-6-4-14(3)5-7-15/h9-10H,4-8H2,1-3H3
InChIKeyFDUPGLOGSGKXDQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.46
Rot. Bonds2

About 3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione

3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione (PubChem CID 127038269) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
PubChem CID127038269
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(C(C)C(=O)N2CCN(C)CC2)C1=O
InChIInChI=1S/C13H21N3O3/c1-9-8-11(17)16(12(9)18)10(2)13(19)15-6-4-14(3)5-7-15/h9-10H,4-8H2,1-3H3
InChIKeyFDUPGLOGSGKXDQ-UHFFFAOYSA-N
XLogP-0.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
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 3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione (CID 127038269) is 3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione is CC1CC(=O)N(C(C)C(=O)N2CCN(C)CC2)C1=O.
What is the InChIKey of 3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
The InChIKey is FDUPGLOGSGKXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-8-11(17)16(12(9)18)10(2)13(19)15-6-4-14(3)5-7-15/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione has a molecular weight of 267.33 g/mol, XLogP of -0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 127038269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).