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

C15H20N2O3 — CID 68863608

IUPACmethyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C2(CCNCC2)C2CC=CC=C21
InChIInChI=1S/C15H20N2O3/c1-20-13(18)10-17-12-5-3-2-4-11(12)15(14(17)19)6-8-16-9-7-15/h2-3,5,11,16H,4,6-10H2,1H3
InChIKeyRQMAUHNORKWJEN-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.83
Rot. Bonds2

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

methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate (PubChem CID 68863608) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate
PubChem CID68863608
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C2(CCNCC2)C2CC=CC=C21
InChIInChI=1S/C15H20N2O3/c1-20-13(18)10-17-12-5-3-2-4-11(12)15(14(17)19)6-8-16-9-7-15/h2-3,5,11,16H,4,6-10H2,1H3
InChIKeyRQMAUHNORKWJEN-UHFFFAOYSA-N
XLogP0.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate?
The IUPAC name of methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate (CID 68863608) is methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate?
The canonical SMILES for methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate is COC(=O)CN1C(=O)C2(CCNCC2)C2CC=CC=C21.
What is the InChIKey of methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate?
The InChIKey is RQMAUHNORKWJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-13(18)10-17-12-5-3-2-4-11(12)15(14(17)19)6-8-16-9-7-15/h2-3,5,11,16H,4,6-10H2,1H3.
What are the key properties of methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate?
methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate has a molecular weight of 276.34 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxospiro[3a,4-dihydroindole-3,4'-piperidine]-1-yl)acetate is sourced from PubChem (CID 68863608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).