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

C20H27FN2O2 — CID 11508484

IUPAC1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(CC3CCCOC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C20H27FN2O2/c1-15(24)23-14-20(18-11-17(21)4-5-19(18)23)6-8-22(9-7-20)12-16-3-2-10-25-13-16/h4-5,11,16H,2-3,6-10,12-14H2,1H3
InChIKeyCGPSWHPWOUHYMD-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.95
Rot. Bonds2

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

1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (PubChem CID 11508484) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
PubChem CID11508484
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
SMILESCC(=O)N1CC2(CCN(CC3CCCOC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C20H27FN2O2/c1-15(24)23-14-20(18-11-17(21)4-5-19(18)23)6-8-22(9-7-20)12-16-3-2-10-25-13-16/h4-5,11,16H,2-3,6-10,12-14H2,1H3
InChIKeyCGPSWHPWOUHYMD-UHFFFAOYSA-N
XLogP2.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.95
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'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The IUPAC name of 1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone (CID 11508484) is 1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone.
What is the SMILES notation for 1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The canonical SMILES for 1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is CC(=O)N1CC2(CCN(CC3CCCOC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
The InChIKey is CGPSWHPWOUHYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-15(24)23-14-20(18-11-17(21)4-5-19(18)23)6-8-22(9-7-20)12-16-3-2-10-25-13-16/h4-5,11,16H,2-3,6-10,12-14H2,1H3.
What are the key properties of 1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone?
1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone has a molecular weight of 346.45 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-1'-(oxan-3-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone is sourced from PubChem (CID 11508484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).