1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C14H25N3O3 — CID 63102254

IUPAC1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)(O)CN1CCN(CCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,20)11-16-7-5-15(6-8-16)9-10-17-12(18)3-4-13(17)19/h20H,3-11H2,1-2H3
InChIKeyAYQKEBLHEIPUSB-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.48
Rot. Bonds5

About 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 63102254) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID63102254
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCC(C)(O)CN1CCN(CCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,20)11-16-7-5-15(6-8-16)9-10-17-12(18)3-4-13(17)19/h20H,3-11H2,1-2H3
InChIKeyAYQKEBLHEIPUSB-UHFFFAOYSA-N
XLogP-0.48
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 63102254) is 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is CC(C)(O)CN1CCN(CCN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is AYQKEBLHEIPUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,20)11-16-7-5-15(6-8-16)9-10-17-12(18)3-4-13(17)19/h20H,3-11H2,1-2H3.
What are the key properties of 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 283.37 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 63102254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).