5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]

C23H33FN2O — CID 89379517

IUPAC5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]
SMILESC=C1CCCCC(N2CCC3(CC2)CN(CCOC)c2ccc(F)cc23)C1
InChIInChI=1S/C23H33FN2O/c1-18-5-3-4-6-20(15-18)25-11-9-23(10-12-25)17-26(13-14-27-2)22-8-7-19(24)16-21(22)23/h7-8,16,20H,1,3-6,9-15,17H2,2H3
InChIKeyRQVXVPBXPJGSLC-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.51
Rot. Bonds4

About 5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]

5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 89379517) has the molecular formula C23H33FN2O and a molecular weight of 372.53 g/mol. Its IUPAC name is 5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]
PubChem CID89379517
Molecular FormulaC23H33FN2O
Molecular Weight372.53 g/mol
Exact Mass372.26
IUPAC Name5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]
SMILESC=C1CCCCC(N2CCC3(CC2)CN(CCOC)c2ccc(F)cc23)C1
InChIInChI=1S/C23H33FN2O/c1-18-5-3-4-6-20(15-18)25-11-9-23(10-12-25)17-26(13-14-27-2)22-8-7-19(24)16-21(22)23/h7-8,16,20H,1,3-6,9-15,17H2,2H3
InChIKeyRQVXVPBXPJGSLC-UHFFFAOYSA-N
XLogP4.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-(2-methoxyethyl)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]
CID 58815607
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
methyl 1'-[3-(ethoxycarbonylamino)cycloheptyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 70957630
methyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)azepane-1-carboxylate
CID 59433877
furan-2-yl-[5-methyl-1'-(3-methylidenecyclohexyl)spiro[2H-indole-3,4'-piperidine]-1-yl]methanone
CID 89379555
2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45252934
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
5-fluoro-1'-(3-methyl-6-methylidenecycloheptyl)spiro[1,2-dihydroindole-3,4'-piperidine]
CID 88979905
ethyl N-[3-[5-fluoro-1-(4-fluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]cycloheptyl]carbamate
CID 70957649

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine] (CID 89379517) is 5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine] is C=C1CCCCC(N2CCC3(CC2)CN(CCOC)c2ccc(F)cc23)C1.
What is the InChIKey of 5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is RQVXVPBXPJGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O/c1-18-5-3-4-6-20(15-18)25-11-9-23(10-12-25)17-26(13-14-27-2)22-8-7-19(24)16-21(22)23/h7-8,16,20H,1,3-6,9-15,17H2,2H3.
What are the key properties of 5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]?
5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 372.53 g/mol, XLogP of 4.51, 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'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 89379517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).