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

C21H30N2O3 — CID 15982797

IUPACmethyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
SMILESCCCCCCN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc12
InChIInChI=1S/C21H30N2O3/c1-3-4-5-8-13-22-14-11-21(12-15-22)17-9-6-7-10-18(17)23(20(21)25)16-19(24)26-2/h6-7,9-10H,3-5,8,11-16H2,1-2H3
InChIKeyRQXVUPSTCKJSED-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.12
Rot. Bonds7

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

methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate (PubChem CID 15982797) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
PubChem CID15982797
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Namemethyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
SMILESCCCCCCN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc12
InChIInChI=1S/C21H30N2O3/c1-3-4-5-8-13-22-14-11-21(12-15-22)17-9-6-7-10-18(17)23(20(21)25)16-19(24)26-2/h6-7,9-10H,3-5,8,11-16H2,1-2H3
InChIKeyRQXVUPSTCKJSED-UHFFFAOYSA-N
XLogP3.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate?
The IUPAC name of methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate (CID 15982797) is methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate.
What is the SMILES notation for methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate?
The canonical SMILES for methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate is CCCCCCN1CCC2(CC1)C(=O)N(CC(=O)OC)c1ccccc12.
What is the InChIKey of methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate?
The InChIKey is RQXVUPSTCKJSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-3-4-5-8-13-22-14-11-21(12-15-22)17-9-6-7-10-18(17)23(20(21)25)16-19(24)26-2/h6-7,9-10H,3-5,8,11-16H2,1-2H3.
What are the key properties of methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate?
methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate has a molecular weight of 358.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate is sourced from PubChem (CID 15982797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).