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

C15H20N4O3 — CID 52906711

IUPAC1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C15H20N4O3/c20-13-2-3-14(21)19(13)11-15(22)17-8-4-12(5-9-17)10-18-7-1-6-16-18/h1,6-7,12H,2-5,8-11H2
InChIKeyHOVFQOIQTSHFMG-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.27
Rot. Bonds4

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

1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 52906711) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID52906711
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C15H20N4O3/c20-13-2-3-14(21)19(13)11-15(22)17-8-4-12(5-9-17)10-18-7-1-6-16-18/h1,6-7,12H,2-5,8-11H2
InChIKeyHOVFQOIQTSHFMG-UHFFFAOYSA-N
XLogP0.27
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.27
H-Bond Donors ≤ 50
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-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 52906711) is 1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is HOVFQOIQTSHFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-13-2-3-14(21)19(13)11-15(22)17-8-4-12(5-9-17)10-18-7-1-6-16-18/h1,6-7,12H,2-5,8-11H2.
What are the key properties of 1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 304.35 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 52906711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).