ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate

C26H28FN3O4S — CID 1281809

IUPACethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CN2C(=O)[C@]3(S[C@@H](C)C(=O)N3c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C26H28FN3O4S/c1-3-34-24(32)18-12-14-28(15-13-18)16-29-22-7-5-4-6-21(22)26(25(29)33)30(23(31)17(2)35-26)20-10-8-19(27)9-11-20/h4-11,17-18H,3,12-16H2,1-2H3/t17-,26+/m0/s1
InChIKeyUNLBRMAXOCJMAJ-MRDQGFSESA-N
MW497.59 g/mol
LogP3.73
Rot. Bonds5

About ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate (PubChem CID 1281809) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate
PubChem CID1281809
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC Nameethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CN2C(=O)[C@]3(S[C@@H](C)C(=O)N3c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C26H28FN3O4S/c1-3-34-24(32)18-12-14-28(15-13-18)16-29-22-7-5-4-6-21(22)26(25(29)33)30(23(31)17(2)35-26)20-10-8-19(27)9-11-20/h4-11,17-18H,3,12-16H2,1-2H3/t17-,26+/m0/s1
InChIKeyUNLBRMAXOCJMAJ-MRDQGFSESA-N
XLogP3.73
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[[(2S,5R)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate
CID 1281808
(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 1201972
(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586587
ethyl 1-[(5,5-dimethyl-2'-oxospiro[1,3-dioxane-2,3'-indole]-1'-yl)methyl]piperidine-4-carboxylate
CID 1202162
(2S)-1'-[(4-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92515544
ethyl 1-[(6-fluoro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate
CID 9281963
ethyl (3S)-1-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]piperidine-3-carboxylate
CID 27276916
(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586538
ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate
CID 9281878
(2R,5S)-1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 25300748
ethyl 1-[[3-(4-fluorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate
CID 4118106
(2S,5S)-1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 25300750

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate (CID 1281809) is ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CN2C(=O)[C@]3(S[C@@H](C)C(=O)N3c3ccc(F)cc3)c3ccccc32)CC1.
What is the InChIKey of ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate?
The InChIKey is UNLBRMAXOCJMAJ-MRDQGFSESA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-3-34-24(32)18-12-14-28(15-13-18)16-29-22-7-5-4-6-21(22)26(25(29)33)30(23(31)17(2)35-26)20-10-8-19(27)9-11-20/h4-11,17-18H,3,12-16H2,1-2H3/t17-,26+/m0/s1.
What are the key properties of ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate has a molecular weight of 497.59 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 1281809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).