6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione

C14H15FN2O2 — CID 84638791

IUPAC6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C14H15FN2O2/c15-10-1-2-11-12(7-10)17(14(19)13(11)18)8-9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2
InChIKeyHSFBTYILRUZFAU-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.35
Rot. Bonds2

About 6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione

6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione (PubChem CID 84638791) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione
PubChem CID84638791
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CCNCC2)c2cc(F)ccc21
InChIInChI=1S/C14H15FN2O2/c15-10-1-2-11-12(7-10)17(14(19)13(11)18)8-9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2
InChIKeyHSFBTYILRUZFAU-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
CID 43210249
6-bromo-1-(cyclobutylmethyl)indole-2,3-dione
CID 65459439
4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione
CID 22247872
1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione
CID 104751180
4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride
CID 22247871
1-(cyclopentylmethyl)-6-methoxyindole-2,3-dione
CID 61357084
4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622
6-fluoro-1-(2-oxopropyl)indole-2,3-dione
CID 62024263
1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-fluoroindole-2,3-dione
CID 9193463
1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
CID 43457248
6-fluoro-1-(3-hydroxy-3-methylbutyl)indole-2,3-dione
CID 79361539
1-[[1-(bromomethyl)cyclopropyl]methyl]-6-fluoroindole-2,3-dione
CID 65008566

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione?
The IUPAC name of 6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione (CID 84638791) is 6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione is O=C1C(=O)N(CC2CCNCC2)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione?
The InChIKey is HSFBTYILRUZFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-10-1-2-11-12(7-10)17(14(19)13(11)18)8-9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2.
What are the key properties of 6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione?
6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione has a molecular weight of 262.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(piperidin-4-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 84638791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).