3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione

C18H23FN4O2 — CID 166471840

IUPAC3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
SMILESCN1CC2(CCN(c3ncc(C4CCC(=O)NC4=O)cc3F)CC2)C1
InChIInChI=1S/C18H23FN4O2/c1-22-10-18(11-22)4-6-23(7-5-18)16-14(19)8-12(9-20-16)13-2-3-15(24)21-17(13)25/h8-9,13H,2-7,10-11H2,1H3,(H,21,24,25)
InChIKeyMFOSMANKIPHWTA-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.27
Rot. Bonds2

About 3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione

3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166471840) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
PubChem CID166471840
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
SMILESCN1CC2(CCN(c3ncc(C4CCC(=O)NC4=O)cc3F)CC2)C1
InChIInChI=1S/C18H23FN4O2/c1-22-10-18(11-22)4-6-23(7-5-18)16-14(19)8-12(9-20-16)13-2-3-15(24)21-17(13)25/h8-9,13H,2-7,10-11H2,1H3,(H,21,24,25)
InChIKeyMFOSMANKIPHWTA-UHFFFAOYSA-N
XLogP1.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione (CID 166471840) is 3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione is CN1CC2(CCN(c3ncc(C4CCC(=O)NC4=O)cc3F)CC2)C1.
What is the InChIKey of 3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is MFOSMANKIPHWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-22-10-18(11-22)4-6-23(7-5-18)16-14(19)8-12(9-20-16)13-2-3-15(24)21-17(13)25/h8-9,13H,2-7,10-11H2,1H3,(H,21,24,25).
What are the key properties of 3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione?
3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 346.41 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166471840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).