3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione

C12H18N2O3 — CID 163963632

IUPAC3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione
SMILESCCC1CCN(C2CCC(=O)NC2=O)C(=O)C1
InChIInChI=1S/C12H18N2O3/c1-2-8-5-6-14(11(16)7-8)9-3-4-10(15)13-12(9)17/h8-9H,2-7H2,1H3,(H,13,15,17)
InChIKeyFOSLDPJQLGTSKV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.44
Rot. Bonds2

About 3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione

3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione (PubChem CID 163963632) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione
PubChem CID163963632
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione
SMILESCCC1CCN(C2CCC(=O)NC2=O)C(=O)C1
InChIInChI=1S/C12H18N2O3/c1-2-8-5-6-14(11(16)7-8)9-3-4-10(15)13-12(9)17/h8-9H,2-7H2,1H3,(H,13,15,17)
InChIKeyFOSLDPJQLGTSKV-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2E,3E)-3-ethylidene-4-methyl-2-propylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177338862
3-(5-ethenyl-4-ethyl-2,3-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 176988089
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione
CID 170614731
(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
3-[5-[(3S)-3-ethylpyrrolidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 170262272
3-[3-ethyl-5-oxo-4-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 171627610
2-(2,6-dioxopiperidin-3-yl)-5-[1-[(4-ethylcyclohexyl)methyl]piperidin-4-yl]isoindole-1,3-dione
CID 175628232
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-[3-oxo-7-(4-propanoylphenyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166418922
3-[(5S)-5-(4-but-1-ynylphenyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 163697786
acetylene;ethane;3-(4-ethenyl-3-ethyl-5-oxo-2H-pyrrol-1-yl)piperidine-2,6-dione
CID 176988345

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione (CID 163963632) is 3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione is CCC1CCN(C2CCC(=O)NC2=O)C(=O)C1.
What is the InChIKey of 3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione?
The InChIKey is FOSLDPJQLGTSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-8-5-6-14(11(16)7-8)9-3-4-10(15)13-12(9)17/h8-9H,2-7H2,1H3,(H,13,15,17).
What are the key properties of 3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione?
3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione has a molecular weight of 238.29 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-oxopiperidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 163963632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).