5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]

C25H28FN5 — CID 71177261

IUPAC5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN(C3CCN(c4cnc5ccccc5n4)CC3)CC1)CN2
InChIInChI=1S/C25H28FN5/c26-18-5-6-21-20(15-18)25(17-28-21)9-13-30(14-10-25)19-7-11-31(12-8-19)24-16-27-22-3-1-2-4-23(22)29-24/h1-6,15-16,19,28H,7-14,17H2
InChIKeyGRJYJIACJZMHBY-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.20
Rot. Bonds2

About 5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]

5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 71177261) has the molecular formula C25H28FN5 and a molecular weight of 417.53 g/mol. Its IUPAC name is 5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID71177261
Molecular FormulaC25H28FN5
Molecular Weight417.53 g/mol
Exact Mass417.23
IUPAC Name5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN(C3CCN(c4cnc5ccccc5n4)CC3)CC1)CN2
InChIInChI=1S/C25H28FN5/c26-18-5-6-21-20(15-18)25(17-28-21)9-13-30(14-10-25)19-7-11-31(12-8-19)24-16-27-22-3-1-2-4-23(22)29-24/h1-6,15-16,19,28H,7-14,17H2
InChIKeyGRJYJIACJZMHBY-UHFFFAOYSA-N
XLogP4.20
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine] (CID 71177261) is 5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine] is Fc1ccc2c(c1)C1(CCN(C3CCN(c4cnc5ccccc5n4)CC3)CC1)CN2.
What is the InChIKey of 5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is GRJYJIACJZMHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5/c26-18-5-6-21-20(15-18)25(17-28-21)9-13-30(14-10-25)19-7-11-31(12-8-19)24-16-27-22-3-1-2-4-23(22)29-24/h1-6,15-16,19,28H,7-14,17H2.
What are the key properties of 5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]?
5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 417.53 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-(1-quinoxalin-2-ylpiperidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 71177261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).