benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate

C23H27FN2O2 — CID 123327952

IUPACbenzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)C1Nc2cccc(F)c2C12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C23H27FN2O2/c1-16(2)21-23(20-18(24)9-6-10-19(20)25-21)11-13-26(14-12-23)22(27)28-15-17-7-4-3-5-8-17/h3-10,16,21,25H,11-15H2,1-2H3
InChIKeyRMUFMWTXZFTQLU-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.95
Rot. Bonds3

About benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate

benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate (PubChem CID 123327952) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
PubChem CID123327952
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Namebenzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)C1Nc2cccc(F)c2C12CCN(C(=O)OCc1ccccc1)CC2
InChIInChI=1S/C23H27FN2O2/c1-16(2)21-23(20-18(24)9-6-10-19(20)25-21)11-13-26(14-12-23)22(27)28-15-17-7-4-3-5-8-17/h3-10,16,21,25H,11-15H2,1-2H3
InChIKeyRMUFMWTXZFTQLU-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 118179010
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536
benzyl 4-(4-fluorophenyl)-4-(2-oxopyrrolidin-3-yl)piperidine-1-carboxylate
CID 141232936
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate
CID 90183749
benzyl 4-hydroxy-4-(2-methylsulfanylphenyl)piperidine-1-carboxylate
CID 18786306
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
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 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 110352237

Frequently Asked Questions

What is the IUPAC name of benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate (CID 123327952) is benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate is CC(C)C1Nc2cccc(F)c2C12CCN(C(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is RMUFMWTXZFTQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-16(2)21-23(20-18(24)9-6-10-19(20)25-21)11-13-26(14-12-23)22(27)28-15-17-7-4-3-5-8-17/h3-10,16,21,25H,11-15H2,1-2H3.
What are the key properties of benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 382.48 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-fluoro-2-propan-2-ylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 123327952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).