2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate

C24H33N3O4 — CID 70959223

IUPAC2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
SMILESCOCCOC(=O)N1CCCC2CC(N3CCC4(CC3)C(=O)Nc3ccccc34)CC21
InChIInChI=1S/C24H33N3O4/c1-30-13-14-31-23(29)27-10-4-5-17-15-18(16-21(17)27)26-11-8-24(9-12-26)19-6-2-3-7-20(19)25-22(24)28/h2-3,6-7,17-18,21H,4-5,8-16H2,1H3,(H,25,28)
InChIKeyQYRJEKKHVHNLEU-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.00
Rot. Bonds4

About 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate

2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate (PubChem CID 70959223) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
PubChem CID70959223
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
SMILESCOCCOC(=O)N1CCCC2CC(N3CCC4(CC3)C(=O)Nc3ccccc34)CC21
InChIInChI=1S/C24H33N3O4/c1-30-13-14-31-23(29)27-10-4-5-17-15-18(16-21(17)27)26-11-8-24(9-12-26)19-6-2-3-7-20(19)25-22(24)28/h2-3,6-7,17-18,21H,4-5,8-16H2,1H3,(H,25,28)
InChIKeyQYRJEKKHVHNLEU-UHFFFAOYSA-N
XLogP3.00
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 70657728
molecular hydrogen;[(3S)-oxolan-3-yl] 3-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 161256177
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
1'-(oxetan-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 141437837
ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
CID 134431901
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
4-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-1,4-diazepane-1-carboxylic acid
CID 166721147
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
4'-(4-butanoyl-1,4-diazepan-1-yl)spiro[1H-indole-3,1'-cyclohexane]-2-one
CID 134431872
ethyl 2-[(3R)-1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]acetate
CID 148646150
ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 159394805
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate (CID 70959223) is 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate is COCCOC(=O)N1CCCC2CC(N3CCC4(CC3)C(=O)Nc3ccccc34)CC21.
What is the InChIKey of 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate?
The InChIKey is QYRJEKKHVHNLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-30-13-14-31-23(29)27-10-4-5-17-15-18(16-21(17)27)26-11-8-24(9-12-26)19-6-2-3-7-20(19)25-22(24)28/h2-3,6-7,17-18,21H,4-5,8-16H2,1H3,(H,25,28).
What are the key properties of 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate?
2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate has a molecular weight of 427.55 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate is sourced from PubChem (CID 70959223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).