6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C21H26FNO3 — CID 119174632

IUPAC6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1(c3cccc(F)c3)CCCCC1)CC2
InChIInChI=1S/C21H26FNO3/c22-16-6-4-5-15(13-16)21(7-2-1-3-8-21)19(26)23-11-9-20(10-12-23)14-17(20)18(24)25/h4-6,13,17H,1-3,7-12,14H2,(H,24,25)
InChIKeyRDJZDIBTHNPNPB-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.74
Rot. Bonds3

About 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119174632) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119174632
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1(c3cccc(F)c3)CCCCC1)CC2
InChIInChI=1S/C21H26FNO3/c22-16-6-4-5-15(13-16)21(7-2-1-3-8-21)19(26)23-11-9-20(10-12-23)14-17(20)18(24)25/h4-6,13,17H,1-3,7-12,14H2,(H,24,25)
InChIKeyRDJZDIBTHNPNPB-UHFFFAOYSA-N
XLogP3.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174947
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
(2R)-6-[4-(3-bromophenyl)oxane-4-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 95345869
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[1-(3-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763147
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119259632
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 60557113
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(3-fluorophenyl)cyclohexyl]methanone
CID 119635799

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119174632) is 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)C1(c3cccc(F)c3)CCCCC1)CC2.
What is the InChIKey of 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is RDJZDIBTHNPNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c22-16-6-4-5-15(13-16)21(7-2-1-3-8-21)19(26)23-11-9-20(10-12-23)14-17(20)18(24)25/h4-6,13,17H,1-3,7-12,14H2,(H,24,25).
What are the key properties of 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 359.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-fluorophenyl)cyclohexanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119174632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).