2-phenyl-2-piperidin-1-ylindene-1,3-dione

C20H19NO2 — CID 2849345

IUPAC2-phenyl-2-piperidin-1-ylindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H19NO2/c22-18-16-11-5-6-12-17(16)19(23)20(18,15-9-3-1-4-10-15)21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyKNKXYNXZAKPOCC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.45
Rot. Bonds2

About 2-phenyl-2-piperidin-1-ylindene-1,3-dione

2-phenyl-2-piperidin-1-ylindene-1,3-dione (PubChem CID 2849345) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-phenyl-2-piperidin-1-ylindene-1,3-dione.

Molecular Properties

Compound Name2-phenyl-2-piperidin-1-ylindene-1,3-dione
PubChem CID2849345
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-phenyl-2-piperidin-1-ylindene-1,3-dione
SMILESO=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCCCC1
InChIInChI=1S/C20H19NO2/c22-18-16-11-5-6-12-17(16)19(23)20(18,15-9-3-1-4-10-15)21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyKNKXYNXZAKPOCC-UHFFFAOYSA-N
XLogP3.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperidin-1-ylindene-1,3-dione?
The IUPAC name of 2-phenyl-2-piperidin-1-ylindene-1,3-dione (CID 2849345) is 2-phenyl-2-piperidin-1-ylindene-1,3-dione.
What is the SMILES notation for 2-phenyl-2-piperidin-1-ylindene-1,3-dione?
The canonical SMILES for 2-phenyl-2-piperidin-1-ylindene-1,3-dione is O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-phenyl-2-piperidin-1-ylindene-1,3-dione?
The InChIKey is KNKXYNXZAKPOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-18-16-11-5-6-12-17(16)19(23)20(18,15-9-3-1-4-10-15)21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-14H2.
What are the key properties of 2-phenyl-2-piperidin-1-ylindene-1,3-dione?
2-phenyl-2-piperidin-1-ylindene-1,3-dione has a molecular weight of 305.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperidin-1-ylindene-1,3-dione is sourced from PubChem (CID 2849345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).