tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate

C18H25FN2O2 — CID 143399561

IUPACtert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCN1CCC2(CC1)CN(C(=O)OC(C)(C)C)c1ccc(F)cc12
InChIInChI=1S/C18H25FN2O2/c1-17(2,3)23-16(22)21-12-18(7-9-20(4)10-8-18)14-11-13(19)5-6-15(14)21/h5-6,11H,7-10,12H2,1-4H3
InChIKeyBKGXUUBARLYEOX-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.54
Rot. Bonds

About tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate

tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 143399561) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID143399561
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Nametert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCN1CCC2(CC1)CN(C(=O)OC(C)(C)C)c1ccc(F)cc12
InChIInChI=1S/C18H25FN2O2/c1-17(2,3)23-16(22)21-12-18(7-9-20(4)10-8-18)14-11-13(19)5-6-15(14)21/h5-6,11H,7-10,12H2,1-4H3
InChIKeyBKGXUUBARLYEOX-UHFFFAOYSA-N
XLogP3.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
CID 149159822
(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23989391
5-fluoro-N-(3-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23856682
tert-butyl 5-fluoro-1'-(8-phenylmethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59433302
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23764412
N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23827573
tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 70957612
tert-butyl 5-fluoro-1'-[4-[methyl-(4-nitrophenyl)sulfonylamino]-3-phenylbutyl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11399578
1-(5-chloro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)ethanone
CID 71130193
1-(1'-benzyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-3,3-dimethylbutan-1-one
CID 23760772
tert-butyl (1R)-1-amino-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530623

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 143399561) is tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate is CN1CCC2(CC1)CN(C(=O)OC(C)(C)C)c1ccc(F)cc12.
What is the InChIKey of tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is BKGXUUBARLYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-17(2,3)23-16(22)21-12-18(7-9-20(4)10-8-18)14-11-13(19)5-6-15(14)21/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 143399561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).