methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate

C15H17BrN2O3 — CID 130323698

IUPACmethyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C2(CCNCC2)c2c(Br)cccc21
InChIInChI=1S/C15H17BrN2O3/c1-21-12(19)9-18-11-4-2-3-10(16)13(11)15(14(18)20)5-7-17-8-6-15/h2-4,17H,5-9H2,1H3
InChIKeyAUSCVXBDMYEDLF-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.59
Rot. Bonds2

About methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate

methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate (PubChem CID 130323698) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
PubChem CID130323698
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Namemethyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C2(CCNCC2)c2c(Br)cccc21
InChIInChI=1S/C15H17BrN2O3/c1-21-12(19)9-18-11-4-2-3-10(16)13(11)15(14(18)20)5-7-17-8-6-15/h2-4,17H,5-9H2,1H3
InChIKeyAUSCVXBDMYEDLF-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 159092005
2-(4'-bromo-2'-oxospiro[azetidine-3,3'-indole]-1'-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 130323517
4-fluoro-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 138594585
methyl 2-(7-bromo-2,3-dioxoindol-1-yl)acetate
CID 61355610
1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
CID 175186657
1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 147971308
methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate
CID 68863608
2-[5-fluoro-4-(iodomethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 130323628
methyl 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetate
CID 5309462
2-[4'-bromo-4-(1H-indazol-5-yloxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 176975407
4'-bromo-4-(1H-indazol-5-yloxy)-1'-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]spiro[cyclohexane-1,3'-indole]-2'-one
CID 176975488
methyl 2-[5-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
CID 115945836

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate?
The IUPAC name of methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate (CID 130323698) is methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate?
The canonical SMILES for methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate is COC(=O)CN1C(=O)C2(CCNCC2)c2c(Br)cccc21.
What is the InChIKey of methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate?
The InChIKey is AUSCVXBDMYEDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-21-12(19)9-18-11-4-2-3-10(16)13(11)15(14(18)20)5-7-17-8-6-15/h2-4,17H,5-9H2,1H3.
What are the key properties of methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate?
methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate has a molecular weight of 353.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate is sourced from PubChem (CID 130323698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).