5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]

C24H33FN2O — CID 58815607

IUPAC5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]
SMILESCOCCN1CC2(CCN(C3CC4CCC5CC45C3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H33FN2O/c1-28-11-10-27-16-23(21-13-19(25)4-5-22(21)27)6-8-26(9-7-23)20-12-17-2-3-18-14-24(17,18)15-20/h4-5,13,17-18,20H,2-3,6-12,14-16H2,1H3
InChIKeyQLYZIWVQOXRGOD-UHFFFAOYSA-N
MW384.54 g/mol
LogP4.20
Rot. Bonds4

About 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]

5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 58815607) has the molecular formula C24H33FN2O and a molecular weight of 384.54 g/mol. Its IUPAC name is 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]
PubChem CID58815607
Molecular FormulaC24H33FN2O
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Name5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]
SMILESCOCCN1CC2(CCN(C3CC4CCC5CC45C3)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H33FN2O/c1-28-11-10-27-16-23(21-13-19(25)4-5-22(21)27)6-8-26(9-7-23)20-12-17-2-3-18-14-24(17,18)15-20/h4-5,13,17-18,20H,2-3,6-12,14-16H2,1H3
InChIKeyQLYZIWVQOXRGOD-UHFFFAOYSA-N
XLogP4.20
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine] with MolForge

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Related Compounds

5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]
CID 89379517
2-fluoroethyl 4-[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433336
[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone
CID 131682012
5-fluoro-1-(2-methoxyethyl)-1'-[[(3R,6R,7S)-7-tricyclo[4.2.0.01,3]oct-4-enyl]methyl]spiro[2H-indole-3,4'-piperidine]
CID 58815742
1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen
CID 158741747
methyl 4-(5-fluoro-1-formylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 89344844
1'-cyclopropyl-5-fluoro-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23994922
1'-cyclopropyl-5-fluoro-N-(4-methoxyphenyl)spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23959515
methyl 1'-[3-(ethoxycarbonylamino)cycloheptyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 70957630
methyl 6-[1-(dimethylcarbamoyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
CID 70959438
2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol
CID 91582523
methyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)azepane-1-carboxylate
CID 59433877

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine] (CID 58815607) is 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine] is COCCN1CC2(CCN(C3CC4CCC5CC45C3)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is QLYZIWVQOXRGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O/c1-28-11-10-27-16-23(21-13-19(25)4-5-22(21)27)6-8-26(9-7-23)20-12-17-2-3-18-14-24(17,18)15-20/h4-5,13,17-18,20H,2-3,6-12,14-16H2,1H3.
What are the key properties of 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]?
5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 384.54 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 58815607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).