[(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate

C16H19NO4 — CID 146681991

IUPAC[(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate
SMILESCOc1ccc2c(c1)[C@H](OC(C)=O)C1(CCNC(=O)C1)C2
InChIInChI=1S/C16H19NO4/c1-10(18)21-15-13-7-12(20-2)4-3-11(13)8-16(15)5-6-17-14(19)9-16/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,17,19)/t15-,16?/m0/s1
InChIKeyYOIRLZUVANFEQY-VYRBHSGPSA-N
MW289.33 g/mol
LogP1.75
Rot. Bonds2

About [(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate

[(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate (PubChem CID 146681991) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is [(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate
PubChem CID146681991
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate
SMILESCOc1ccc2c(c1)[C@H](OC(C)=O)C1(CCNC(=O)C1)C2
InChIInChI=1S/C16H19NO4/c1-10(18)21-15-13-7-12(20-2)4-3-11(13)8-16(15)5-6-17-14(19)9-16/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,17,19)/t15-,16?/m0/s1
InChIKeyYOIRLZUVANFEQY-VYRBHSGPSA-N
XLogP1.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate?
The IUPAC name of [(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate (CID 146681991) is [(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate.
What is the SMILES notation for [(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate?
The canonical SMILES for [(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate is COc1ccc2c(c1)[C@H](OC(C)=O)C1(CCNC(=O)C1)C2.
What is the InChIKey of [(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate?
The InChIKey is YOIRLZUVANFEQY-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(18)21-15-13-7-12(20-2)4-3-11(13)8-16(15)5-6-17-14(19)9-16/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,17,19)/t15-,16?/m0/s1.
What are the key properties of [(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate?
[(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate has a molecular weight of 289.33 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-methoxy-2'-oxospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl] acetate is sourced from PubChem (CID 146681991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).