ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate

C17H19FN2O4 — CID 9281963

IUPACethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CN2C(=O)C(=O)c3ccc(F)cc32)CC1
InChIInChI=1S/C17H19FN2O4/c1-2-24-17(23)11-5-7-19(8-6-11)10-20-14-9-12(18)3-4-13(14)15(21)16(20)22/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyPFFSVTVVOXWCKD-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.59
Rot. Bonds4

About ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate (PubChem CID 9281963) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate
PubChem CID9281963
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Nameethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CN2C(=O)C(=O)c3ccc(F)cc32)CC1
InChIInChI=1S/C17H19FN2O4/c1-2-24-17(23)11-5-7-19(8-6-11)10-20-14-9-12(18)3-4-13(14)15(21)16(20)22/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyPFFSVTVVOXWCKD-UHFFFAOYSA-N
XLogP1.59
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
ethyl 1-[2-[8-fluoro-5-(4-fluorophenyl)-2,3-dihydro-1-benzazepin-1-yl]ethyl]piperidine-4-carboxylate
CID 139936294
ethyl 1-(2-cyano-5-fluorophenyl)piperidine-4-carboxylate
CID 171316298
ethyl 1-[[3-(4-bromophenyl)imino-2-oxoindol-1-yl]methyl]piperidine-4-carboxylate
CID 17380023
ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818400
6-fluoro-1-(2-oxopropyl)indole-2,3-dione
CID 62024263
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
ethyl 1-[(5,5-dimethyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)methyl]piperidine-4-carboxylate
CID 1202162
1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
CID 43457248
ethyl 1-[[2-oxo-3-(4-phenoxyphenyl)iminoindol-1-yl]methyl]piperidine-4-carboxylate
CID 4211062
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
ethyl 1-(5-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 110759367

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate (CID 9281963) is ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CN2C(=O)C(=O)c3ccc(F)cc32)CC1.
What is the InChIKey of ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate?
The InChIKey is PFFSVTVVOXWCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-2-24-17(23)11-5-7-19(8-6-11)10-20-14-9-12(18)3-4-13(14)15(21)16(20)22/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 9281963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).