1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone

C20H20FN3O2 — CID 97452570

IUPAC1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12
InChIInChI=1S/C20H20FN3O2/c1-14(25)23-9-6-20(7-10-23)13-24(18-5-4-16(21)11-17(18)20)19(26)15-3-2-8-22-12-15/h2-5,8,11-12H,6-7,9-10,13H2,1H3
InChIKeyNVNUXXAXNBIFJN-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.76
Rot. Bonds1

About 1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone

1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone (PubChem CID 97452570) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
PubChem CID97452570
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12
InChIInChI=1S/C20H20FN3O2/c1-14(25)23-9-6-20(7-10-23)13-24(18-5-4-16(21)11-17(18)20)19(26)15-3-2-8-22-12-15/h2-5,8,11-12H,6-7,9-10,13H2,1H3
InChIKeyNVNUXXAXNBIFJN-UHFFFAOYSA-N
XLogP2.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone (CID 97452570) is 1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone is CC(=O)N1CCC2(CC1)CN(C(=O)c1cccnc1)c1ccc(F)cc12.
What is the InChIKey of 1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The InChIKey is NVNUXXAXNBIFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(25)23-9-6-20(7-10-23)13-24(18-5-4-16(21)11-17(18)20)19(26)15-3-2-8-22-12-15/h2-5,8,11-12H,6-7,9-10,13H2,1H3.
What are the key properties of 1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone has a molecular weight of 353.40 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-1-(pyridine-3-carbonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 97452570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).