benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate

C21H21FN2O4 — CID 138594996

IUPACbenzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESCN1C(=O)C2(CCN(C(=O)OCc3ccccc3)CC2)c2c(F)cc(O)cc21
InChIInChI=1S/C21H21FN2O4/c1-23-17-12-15(25)11-16(22)18(17)21(19(23)26)7-9-24(10-8-21)20(27)28-13-14-5-3-2-4-6-14/h2-6,11-12,25H,7-10,13H2,1H3
InChIKeyRUYWPKGLZRXFJV-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.18
Rot. Bonds2

About benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate

benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 138594996) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
PubChem CID138594996
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Namebenzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESCN1C(=O)C2(CCN(C(=O)OCc3ccccc3)CC2)c2c(F)cc(O)cc21
InChIInChI=1S/C21H21FN2O4/c1-23-17-12-15(25)11-16(22)18(17)21(19(23)26)7-9-24(10-8-21)20(27)28-13-14-5-3-2-4-6-14/h2-6,11-12,25H,7-10,13H2,1H3
InChIKeyRUYWPKGLZRXFJV-UHFFFAOYSA-N
XLogP3.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4,6-dichloro-1-(2-hydroxyethyl)-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 138594340
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl (4R)-1-oxo-4-phenyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 124560426
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 118179010
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192243
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 59305246

Frequently Asked Questions

What is the IUPAC name of benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate (CID 138594996) is benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate is CN1C(=O)C2(CCN(C(=O)OCc3ccccc3)CC2)c2c(F)cc(O)cc21.
What is the InChIKey of benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is RUYWPKGLZRXFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-23-17-12-15(25)11-16(22)18(17)21(19(23)26)7-9-24(10-8-21)20(27)28-13-14-5-3-2-4-6-14/h2-6,11-12,25H,7-10,13H2,1H3.
What are the key properties of benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-fluoro-6-hydroxy-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 138594996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).