1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione

C23H24N2O2 — CID 54774341

IUPAC1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione
SMILESCCC1CCCCN1C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C23H24N2O2/c1-2-18-12-6-9-15-25(18)23(27)22(26)21-20(17-10-4-3-5-11-17)16-19-13-7-8-14-24(19)21/h3-5,7-8,10-11,13-14,16,18H,2,6,9,12,15H2,1H3
InChIKeyYEWMLRDXDLRQPZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.58
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione

1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione (PubChem CID 54774341) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione
PubChem CID54774341
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione
SMILESCCC1CCCCN1C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C23H24N2O2/c1-2-18-12-6-9-15-25(18)23(27)22(26)21-20(17-10-4-3-5-11-17)16-19-13-7-8-14-24(19)21/h3-5,7-8,10-11,13-14,16,18H,2,6,9,12,15H2,1H3
InChIKeyYEWMLRDXDLRQPZ-UHFFFAOYSA-N
XLogP4.58
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione
CID 7087156
(Z)-1-[(2S)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162217
(Z)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 2162218
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625
1-(2-ethylpiperidin-1-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108523573
benzyl 4-(2-ethylpiperidin-1-yl)-4-oxobutanoate
CID 138554546
1-[2-(2-ethylazepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 104691186
N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503471
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
1-(2-ethylpiperidin-1-yl)-2-methyl-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
CID 54055162
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione (CID 54774341) is 1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione is CCC1CCCCN1C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione?
The InChIKey is YEWMLRDXDLRQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-2-18-12-6-9-15-25(18)23(27)22(26)21-20(17-10-4-3-5-11-17)16-19-13-7-8-14-24(19)21/h3-5,7-8,10-11,13-14,16,18H,2,6,9,12,15H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione?
1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione has a molecular weight of 360.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(2-phenylindolizin-3-yl)ethane-1,2-dione is sourced from PubChem (CID 54774341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).