1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile

C20H24FN3O — CID 162022219

IUPAC1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile
SMILESCN1C(=O)C2(CCCCC2)c2c(F)cc(N3CCC(C#N)CC3)cc21
InChIInChI=1S/C20H24FN3O/c1-23-17-12-15(24-9-5-14(13-22)6-10-24)11-16(21)18(17)20(19(23)25)7-3-2-4-8-20/h11-12,14H,2-10H2,1H3
InChIKeyYUWWLIOTECJJAC-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.74
Rot. Bonds1

About 1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile

1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile (PubChem CID 162022219) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile
PubChem CID162022219
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile
SMILESCN1C(=O)C2(CCCCC2)c2c(F)cc(N3CCC(C#N)CC3)cc21
InChIInChI=1S/C20H24FN3O/c1-23-17-12-15(24-9-5-14(13-22)6-10-24)11-16(21)18(17)20(19(23)25)7-3-2-4-8-20/h11-12,14H,2-10H2,1H3
InChIKeyYUWWLIOTECJJAC-UHFFFAOYSA-N
XLogP3.74
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile (CID 162022219) is 1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile is CN1C(=O)C2(CCCCC2)c2c(F)cc(N3CCC(C#N)CC3)cc21.
What is the InChIKey of 1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile?
The InChIKey is YUWWLIOTECJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-23-17-12-15(24-9-5-14(13-22)6-10-24)11-16(21)18(17)20(19(23)25)7-3-2-4-8-20/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile?
1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile has a molecular weight of 341.43 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4'-fluoro-1'-methyl-2'-oxospiro[cyclohexane-1,3'-indole]-6'-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 162022219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).