1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione

C15H18N2O2 — CID 79516762

IUPAC1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C15H18N2O2/c18-14-10-15(19)17(11-14)13-6-4-12(5-7-13)16-8-2-1-3-9-16/h4-7H,1-3,8-11H2
InChIKeyDPIMCFWOBDAKRR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.98
Rot. Bonds2

About 1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione

1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione (PubChem CID 79516762) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione
PubChem CID79516762
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1
InChIInChI=1S/C15H18N2O2/c18-14-10-15(19)17(11-14)13-6-4-12(5-7-13)16-8-2-1-3-9-16/h4-7H,1-3,8-11H2
InChIKeyDPIMCFWOBDAKRR-UHFFFAOYSA-N
XLogP1.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione (CID 79516762) is 1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione is O=C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1.
What is the InChIKey of 1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione?
The InChIKey is DPIMCFWOBDAKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-10-15(19)17(11-14)13-6-4-12(5-7-13)16-8-2-1-3-9-16/h4-7H,1-3,8-11H2.
What are the key properties of 1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione?
1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione has a molecular weight of 258.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylphenyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 79516762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).