3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione

C14H20N4O2 — CID 65297640

IUPAC3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2cnn(C3CCNCC3)c2)C1=O
InChIInChI=1S/C14H20N4O2/c1-14(2)7-12(19)18(13(14)20)11-8-16-17(9-11)10-3-5-15-6-4-10/h8-10,15H,3-7H2,1-2H3
InChIKeyOFCPYIMGGBEPSC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.10
Rot. Bonds2

About 3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione

3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione (PubChem CID 65297640) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione
PubChem CID65297640
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(c2cnn(C3CCNCC3)c2)C1=O
InChIInChI=1S/C14H20N4O2/c1-14(2)7-12(19)18(13(14)20)11-8-16-17(9-11)10-3-5-15-6-4-10/h8-10,15H,3-7H2,1-2H3
InChIKeyOFCPYIMGGBEPSC-UHFFFAOYSA-N
XLogP1.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.10
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 3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione (CID 65297640) is 3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione is CC1(C)CC(=O)N(c2cnn(C3CCNCC3)c2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione?
The InChIKey is OFCPYIMGGBEPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2)7-12(19)18(13(14)20)11-8-16-17(9-11)10-3-5-15-6-4-10/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione?
3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-piperidin-4-ylpyrazol-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 65297640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).