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

C26H26N2O3 — CID 15982935

IUPACmethyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21
InChIInChI=1S/C26H26N2O3/c1-31-24(29)18-28-23-9-5-4-8-22(23)26(25(28)30)12-14-27(15-13-26)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16H,12-15,17-18H2,1H3
InChIKeyTXYOVASKQVFALR-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.89
Rot. Bonds4

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

methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (PubChem CID 15982935) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
PubChem CID15982935
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Namemethyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21
InChIInChI=1S/C26H26N2O3/c1-31-24(29)18-28-23-9-5-4-8-22(23)26(25(28)30)12-14-27(15-13-26)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16H,12-15,17-18H2,1H3
InChIKeyTXYOVASKQVFALR-UHFFFAOYSA-N
XLogP3.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The IUPAC name of methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (CID 15982935) is methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.
What is the SMILES notation for methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The canonical SMILES for methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is COC(=O)CN1C(=O)C2(CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The InChIKey is TXYOVASKQVFALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-31-24(29)18-28-23-9-5-4-8-22(23)26(25(28)30)12-14-27(15-13-26)17-19-10-11-20-6-2-3-7-21(20)16-19/h2-11,16H,12-15,17-18H2,1H3.
What are the key properties of methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate has a molecular weight of 414.51 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1'-(naphthalen-2-ylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is sourced from PubChem (CID 15982935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).