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

C23H32N2O3 — CID 15982524

IUPACmethyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(CC3CCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C23H32N2O3/c1-28-21(26)17-25-20-11-7-6-10-19(20)23(22(25)27)12-14-24(15-13-23)16-18-8-4-2-3-5-9-18/h6-7,10-11,18H,2-5,8-9,12-17H2,1H3
InChIKeySOPRELXQEVIXLJ-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.51
Rot. Bonds4

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

methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (PubChem CID 15982524) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
PubChem CID15982524
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Namemethyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C2(CCN(CC3CCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C23H32N2O3/c1-28-21(26)17-25-20-11-7-6-10-19(20)23(22(25)27)12-14-24(15-13-23)16-18-8-4-2-3-5-9-18/h6-7,10-11,18H,2-5,8-9,12-17H2,1H3
InChIKeySOPRELXQEVIXLJ-UHFFFAOYSA-N
XLogP3.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The IUPAC name of methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate (CID 15982524) is methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate.
What is the SMILES notation for methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The canonical SMILES for methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is COC(=O)CN1C(=O)C2(CCN(CC3CCCCCC3)CC2)c2ccccc21.
What is the InChIKey of methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
The InChIKey is SOPRELXQEVIXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-28-21(26)17-25-20-11-7-6-10-19(20)23(22(25)27)12-14-24(15-13-23)16-18-8-4-2-3-5-9-18/h6-7,10-11,18H,2-5,8-9,12-17H2,1H3.
What are the key properties of methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate?
methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate has a molecular weight of 384.52 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1'-(cycloheptylmethyl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetate is sourced from PubChem (CID 15982524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).