3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane

C19H25FN2O3 — CID 170639310

IUPAC3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane
SMILESCC(C)C.CCc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C15H15FN2O3.C4H10/c1-2-8-5-9-7-18(15(21)10(9)6-11(8)16)12-3-4-13(19)17-14(12)20;1-4(2)3/h5-6,12H,2-4,7H2,1H3,(H,17,19,20);4H,1-3H3
InChIKeyMDNBXMYFCMJRMM-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.81
Rot. Bonds2

About 3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane

3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane (PubChem CID 170639310) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane.

Molecular Properties

Compound Name3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane
PubChem CID170639310
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane
SMILESCC(C)C.CCc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C15H15FN2O3.C4H10/c1-2-8-5-9-7-18(15(21)10(9)6-11(8)16)12-3-4-13(19)17-14(12)20;1-4(2)3/h5-6,12H,2-4,7H2,1H3,(H,17,19,20);4H,1-3H3
InChIKeyMDNBXMYFCMJRMM-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.81
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-[5-(dimethylamino)-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155296849
3-[6-[(4-benzhydryl-2,6-dimethylpiperazin-1-yl)methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171829262
3-[6-[[4-[bis(4-hydroxyphenyl)methyl]piperazin-1-yl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171829035
3-(5-fluoro-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 155229339
3-(5-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 156787370
N-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methyl]-3-hydroxybenzamide
CID 177262491
3-[6-[[(1S,4S)-5-benzhydryl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171829297
3-[6-(5-tert-butyl-2,5-diazabicyclo[2.2.2]octan-2-yl)-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841417
3-[6-(2-methylpropanoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251287
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
(3R)-3-[6-(3-tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841487

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane?
The IUPAC name of 3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane (CID 170639310) is 3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane.
What is the SMILES notation for 3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane?
The canonical SMILES for 3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane is CC(C)C.CCc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane?
The InChIKey is MDNBXMYFCMJRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3.C4H10/c1-2-8-5-9-7-18(15(21)10(9)6-11(8)16)12-3-4-13(19)17-14(12)20;1-4(2)3/h5-6,12H,2-4,7H2,1H3,(H,17,19,20);4H,1-3H3.
What are the key properties of 3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane?
3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane has a molecular weight of 348.42 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2-methylpropane is sourced from PubChem (CID 170639310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).