(3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione

C12H13FN2O2 — CID 172616956

IUPAC(3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione
SMILESCCc1cnc([C@H]2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C12H13FN2O2/c1-2-7-5-9(13)11(14-6-7)8-3-4-10(16)15-12(8)17/h5-6,8H,2-4H2,1H3,(H,15,16,17)/t8-/m1/s1
InChIKeyACSQGDUPQPMPLT-MRVPVSSYSA-N
MW236.25 g/mol
LogP1.30
Rot. Bonds2

About (3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione

(3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione (PubChem CID 172616956) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is (3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione
PubChem CID172616956
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name(3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione
SMILESCCc1cnc([C@H]2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C12H13FN2O2/c1-2-7-5-9(13)11(14-6-7)8-3-4-10(16)15-12(8)17/h5-6,8H,2-4H2,1H3,(H,15,16,17)/t8-/m1/s1
InChIKeyACSQGDUPQPMPLT-MRVPVSSYSA-N
XLogP1.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.30
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

butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
CID 172617426
3-(6-ethyl-5-hydroxy-1-methylindazol-3-yl)piperidine-2,6-dione
CID 177160916
7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 164917696
3-(6-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
CID 176508925
3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
CID 170129880
ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
CID 171565294
7-amino-3-ethyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one;ethane
CID 164917695
3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
CID 170979047
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]piperidine-2,6-dione
CID 168874469
3-(5-aminopyrimidin-2-yl)piperidine-2,6-dione
CID 177240318
3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
CID 167474889

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione (CID 172616956) is (3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione is CCc1cnc([C@H]2CCC(=O)NC2=O)c(F)c1.
What is the InChIKey of (3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione?
The InChIKey is ACSQGDUPQPMPLT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-2-7-5-9(13)11(14-6-7)8-3-4-10(16)15-12(8)17/h5-6,8H,2-4H2,1H3,(H,15,16,17)/t8-/m1/s1.
What are the key properties of (3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione?
(3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione has a molecular weight of 236.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-ethyl-3-fluoro-2-pyridinyl)piperidine-2,6-dione is sourced from PubChem (CID 172616956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).