3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione

C20H26N2O3 — CID 167071473

IUPAC3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione
SMILESCCc1ccc(C2CCNCC2)cc1C(=O)CC1CCC(=O)NC1=O
InChIInChI=1S/C20H26N2O3/c1-2-13-3-4-15(14-7-9-21-10-8-14)11-17(13)18(23)12-16-5-6-19(24)22-20(16)25/h3-4,11,14,16,21H,2,5-10,12H2,1H3,(H,22,24,25)
InChIKeyDTXKEGVLCGECAF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.34
Rot. Bonds5

About 3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione

3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione (PubChem CID 167071473) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione
PubChem CID167071473
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione
SMILESCCc1ccc(C2CCNCC2)cc1C(=O)CC1CCC(=O)NC1=O
InChIInChI=1S/C20H26N2O3/c1-2-13-3-4-15(14-7-9-21-10-8-14)11-17(13)18(23)12-16-5-6-19(24)22-20(16)25/h3-4,11,14,16,21H,2,5-10,12H2,1H3,(H,22,24,25)
InChIKeyDTXKEGVLCGECAF-UHFFFAOYSA-N
XLogP2.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 171788463
methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854
3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 167470469
3-[4-(2,3-dimethyl-4-piperidin-4-ylbutyl)-3-ethylphenyl]piperidine-2,6-dione
CID 177364377
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione
CID 156518135
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide
CID 169452618
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
2-methyl-5-piperidin-4-ylbenzamide
CID 175991950

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione (CID 167071473) is 3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione is CCc1ccc(C2CCNCC2)cc1C(=O)CC1CCC(=O)NC1=O.
What is the InChIKey of 3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione?
The InChIKey is DTXKEGVLCGECAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-13-3-4-15(14-7-9-21-10-8-14)11-17(13)18(23)12-16-5-6-19(24)22-20(16)25/h3-4,11,14,16,21H,2,5-10,12H2,1H3,(H,22,24,25).
What are the key properties of 3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione?
3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione has a molecular weight of 342.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione is sourced from PubChem (CID 167071473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).