1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C15H21N5O3 — CID 52907360

IUPAC1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H21N5O3/c21-13-2-3-14(22)20(13)12-15(23)18-9-6-17(7-10-18)8-11-19-5-1-4-16-19/h1,4-5H,2-3,6-12H2
InChIKeyLXAYDYIOQDHVBB-UHFFFAOYSA-N
MW319.36 g/mol
LogP-0.82
Rot. Bonds5

About 1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 52907360) has the molecular formula C15H21N5O3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID52907360
Molecular FormulaC15H21N5O3
Molecular Weight319.36 g/mol
Exact Mass319.16
IUPAC Name1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H21N5O3/c21-13-2-3-14(22)20(13)12-15(23)18-9-6-17(7-10-18)8-11-19-5-1-4-16-19/h1,4-5H,2-3,6-12H2
InChIKeyLXAYDYIOQDHVBB-UHFFFAOYSA-N
XLogP-0.82
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 52907360) is 1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is LXAYDYIOQDHVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c21-13-2-3-14(22)20(13)12-15(23)18-9-6-17(7-10-18)8-11-19-5-1-4-16-19/h1,4-5H,2-3,6-12H2.
What are the key properties of 1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 319.36 g/mol, XLogP of -0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 52907360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).