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

C21H29FN2O2 — CID 131682012

IUPAC[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone
SMILESCOCCN1CC2(CCN(C(=O)C3CC(C)C3)CC2)c2cc(F)ccc21
InChIInChI=1S/C21H29FN2O2/c1-15-11-16(12-15)20(25)23-7-5-21(6-8-23)14-24(9-10-26-2)19-4-3-17(22)13-18(19)21/h3-4,13,15-16H,5-12,14H2,1-2H3
InChIKeyXQHDIPSEXUHUDH-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.20
Rot. Bonds4

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

[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone (PubChem CID 131682012) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is [5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone
PubChem CID131682012
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone
SMILESCOCCN1CC2(CCN(C(=O)C3CC(C)C3)CC2)c2cc(F)ccc21
InChIInChI=1S/C21H29FN2O2/c1-15-11-16(12-15)20(25)23-7-5-21(6-8-23)14-24(9-10-26-2)19-4-3-17(22)13-18(19)21/h3-4,13,15-16H,5-12,14H2,1-2H3
InChIKeyXQHDIPSEXUHUDH-UHFFFAOYSA-N
XLogP3.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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)-1'-(8-tricyclo[4.3.0.01,3]nonanyl)spiro[2H-indole-3,4'-piperidine]
CID 58815607
5-fluoro-1-(2-methoxyethyl)-1'-(3-methylidenecycloheptyl)spiro[2H-indole-3,4'-piperidine]
CID 89379517
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
5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
CID 149159822
7-(2-chloro-5-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643787
1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
CID 59433818
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
1-[1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one
CID 59614262
1-[5-fluoro-1'-[(2R)-2-[(1R,4R)-4-methylcyclopent-2-en-1-yl]butyl]spiro[2H-indole-3,4'-piperidine]-1-yl]propan-2-one
CID 70658258
tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 143399561
propan-2-yl 6-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
CID 70959422

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone?
The IUPAC name of [5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone (CID 131682012) is [5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone.
What is the SMILES notation for [5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone?
The canonical SMILES for [5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone is COCCN1CC2(CCN(C(=O)C3CC(C)C3)CC2)c2cc(F)ccc21.
What is the InChIKey of [5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone?
The InChIKey is XQHDIPSEXUHUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-15-11-16(12-15)20(25)23-7-5-21(6-8-23)14-24(9-10-26-2)19-4-3-17(22)13-18(19)21/h3-4,13,15-16H,5-12,14H2,1-2H3.
What are the key properties of [5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone?
[5-fluoro-1-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone has a molecular weight of 360.47 g/mol, XLogP of 3.20, 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)spiro[2H-indole-3,4'-piperidine]-1'-yl]-(3-methylcyclobutyl)methanone is sourced from PubChem (CID 131682012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).