(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone

C21H24FN3O — CID 97452569

IUPAC(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone
SMILESCCCN1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12
InChIInChI=1S/C21H24FN3O/c1-2-10-24-11-7-21(8-12-24)15-25(19-6-5-17(22)13-18(19)21)20(26)16-4-3-9-23-14-16/h3-6,9,13-14H,2,7-8,10-12,15H2,1H3
InChIKeyRGSPIISPDLIVJO-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.62
Rot. Bonds3

About (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone

(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone (PubChem CID 97452569) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone
PubChem CID97452569
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone
SMILESCCCN1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12
InChIInChI=1S/C21H24FN3O/c1-2-10-24-11-7-21(8-12-24)15-25(19-6-5-17(22)13-18(19)21)20(26)16-4-3-9-23-14-16/h3-6,9,13-14H,2,7-8,10-12,15H2,1H3
InChIKeyRGSPIISPDLIVJO-UHFFFAOYSA-N
XLogP3.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone (CID 97452569) is (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone is CCCN1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12.
What is the InChIKey of (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone?
The InChIKey is RGSPIISPDLIVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-2-10-24-11-7-21(8-12-24)15-25(19-6-5-17(22)13-18(19)21)20(26)16-4-3-9-23-14-16/h3-6,9,13-14H,2,7-8,10-12,15H2,1H3.
What are the key properties of (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone?
(5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone has a molecular weight of 353.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1'-propylspiro[2H-indole-3,4'-piperidine]-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 97452569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).