1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one

C20H21FN2O2 — CID 56884415

IUPAC1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1ccc(F)cc1CN1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H21FN2O2/c1-25-18-7-6-15(21)12-14(18)13-23-10-8-20(9-11-23)16-4-2-3-5-17(16)22-19(20)24/h2-7,12H,8-11,13H2,1H3,(H,22,24)
InChIKeyXXGRRFGGPZITQE-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.32
Rot. Bonds3

About 1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one

1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 56884415) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID56884415
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1ccc(F)cc1CN1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H21FN2O2/c1-25-18-7-6-15(21)12-14(18)13-23-10-8-20(9-11-23)16-4-2-3-5-17(16)22-19(20)24/h2-7,12H,8-11,13H2,1H3,(H,22,24)
InChIKeyXXGRRFGGPZITQE-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 9330466
4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 63126703
1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 136533554
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 98023481
1'-[2-(4-fluorophenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862924
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375615
1-(2-chlorophenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 38749302
1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862913
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 3042074
1'-[2-(2-methoxy-6-methylphenoxy)acetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862952

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 56884415) is 1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one is COc1ccc(F)cc1CN1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is XXGRRFGGPZITQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-25-18-7-6-15(21)12-14(18)13-23-10-8-20(9-11-23)16-4-2-3-5-17(16)22-19(20)24/h2-7,12H,8-11,13H2,1H3,(H,22,24).
What are the key properties of 1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one?
1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 340.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-fluoro-2-methoxyphenyl)methyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56884415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).