1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione

C19H19NO2 — CID 53383782

IUPAC1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H19NO2/c21-18(17-9-5-2-6-10-17)19(22)20-13-11-16(12-14-20)15-7-3-1-4-8-15/h1-10,16H,11-14H2
InChIKeyJUTVOUMOEDKZNO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.28
Rot. Bonds3

About 1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione

1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 53383782) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione
PubChem CID53383782
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C19H19NO2/c21-18(17-9-5-2-6-10-17)19(22)20-13-11-16(12-14-20)15-7-3-1-4-8-15/h1-10,16H,11-14H2
InChIKeyJUTVOUMOEDKZNO-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione (CID 53383782) is 1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione is O=C(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is JUTVOUMOEDKZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-18(17-9-5-2-6-10-17)19(22)20-13-11-16(12-14-20)15-7-3-1-4-8-15/h1-10,16H,11-14H2.
What are the key properties of 1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione?
1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 293.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-phenylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 53383782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).