6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione

C15H17FN2O2 — CID 9193630

IUPAC6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione
SMILESCC1CCN(CN2C(=O)C(=O)c3ccc(F)cc32)CC1
InChIInChI=1S/C15H17FN2O2/c1-10-4-6-17(7-5-10)9-18-13-8-11(16)2-3-12(13)14(19)15(18)20/h2-3,8,10H,4-7,9H2,1H3
InChIKeySDNSQAYLRDKIQA-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.04
Rot. Bonds2

About 6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione

6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione (PubChem CID 9193630) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione
PubChem CID9193630
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione
SMILESCC1CCN(CN2C(=O)C(=O)c3ccc(F)cc32)CC1
InChIInChI=1S/C15H17FN2O2/c1-10-4-6-17(7-5-10)9-18-13-8-11(16)2-3-12(13)14(19)15(18)20/h2-3,8,10H,4-7,9H2,1H3
InChIKeySDNSQAYLRDKIQA-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione?
The IUPAC name of 6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione (CID 9193630) is 6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione is CC1CCN(CN2C(=O)C(=O)c3ccc(F)cc32)CC1.
What is the InChIKey of 6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione?
The InChIKey is SDNSQAYLRDKIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-4-6-17(7-5-10)9-18-13-8-11(16)2-3-12(13)14(19)15(18)20/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione?
6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione has a molecular weight of 276.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(4-methylpiperidin-1-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 9193630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).