1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione

C21H20N2O2 — CID 3707234

IUPAC1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H20N2O2/c24-20(21(25)23-13-7-2-8-14-23)18-16-11-5-6-12-17(16)22-19(18)15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2
InChIKeyVGZLFDCJSLGJOG-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.03
Rot. Bonds3

About 1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione

1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione (PubChem CID 3707234) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
PubChem CID3707234
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H20N2O2/c24-20(21(25)23-13-7-2-8-14-23)18-16-11-5-6-12-17(16)22-19(18)15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2
InChIKeyVGZLFDCJSLGJOG-UHFFFAOYSA-N
XLogP4.03
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
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-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione (CID 3707234) is 1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione is O=C(C(=O)N1CCCCC1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione?
The InChIKey is VGZLFDCJSLGJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20(21(25)23-13-7-2-8-14-23)18-16-11-5-6-12-17(16)22-19(18)15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2.
What are the key properties of 1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione?
1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione has a molecular weight of 332.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione is sourced from PubChem (CID 3707234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).