1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine]

C22H28N2O — CID 70594328

IUPAC1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine]
SMILESCCN1CC2(CCN(CCOc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H28N2O/c1-2-24-18-22(20-10-6-7-11-21(20)24)12-14-23(15-13-22)16-17-25-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
InChIKeyLHTHASLVQGKJRR-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.94
Rot. Bonds5

About 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine]

1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 70594328) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine]
PubChem CID70594328
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine]
SMILESCCN1CC2(CCN(CCOc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H28N2O/c1-2-24-18-22(20-10-6-7-11-21(20)24)12-14-23(15-13-22)16-17-25-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
InChIKeyLHTHASLVQGKJRR-UHFFFAOYSA-N
XLogP3.94
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine] 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 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine] (CID 70594328) is 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine] is CCN1CC2(CCN(CCOc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is LHTHASLVQGKJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-24-18-22(20-10-6-7-11-21(20)24)12-14-23(15-13-22)16-17-25-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3.
What are the key properties of 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine]?
1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 336.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1'-(2-phenoxyethyl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 70594328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).