benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate

C20H19FN2O2 — CID 118179010

IUPACbenzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(C=Nc3cccc(F)c32)CC1
InChIInChI=1S/C20H19FN2O2/c21-16-7-4-8-17-18(16)20(14-22-17)9-11-23(12-10-20)19(24)25-13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyHHEQQWVOYRDZJY-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.21
Rot. Bonds2

About benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate

benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 118179010) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
PubChem CID118179010
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Namebenzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(C=Nc3cccc(F)c32)CC1
InChIInChI=1S/C20H19FN2O2/c21-16-7-4-8-17-18(16)20(14-22-17)9-11-23(12-10-20)19(24)25-13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyHHEQQWVOYRDZJY-UHFFFAOYSA-N
XLogP4.21
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 4-fluorospiro[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

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
CID 123327952
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene
CID 143436152
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate;benzyl 1-oxa-6-azaspiro[2.5]octane-6-carboxylate
CID 167708022
benzyl 4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carboxylate
CID 12016071

Frequently Asked Questions

What is the IUPAC name of benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate (CID 118179010) is benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate is O=C(OCc1ccccc1)N1CCC2(C=Nc3cccc(F)c32)CC1.
What is the InChIKey of benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is HHEQQWVOYRDZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-16-7-4-8-17-18(16)20(14-22-17)9-11-23(12-10-20)19(24)25-13-15-5-2-1-3-6-15/h1-8,14H,9-13H2.
What are the key properties of benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate?
benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 338.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 118179010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).