8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H23FN2O2 — CID 56916504

IUPAC8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(Cc3cccc(F)c3)CC2)CC1C(=O)O
InChIInChI=1S/C17H23FN2O2/c1-19-12-17(10-15(19)16(21)22)5-7-20(8-6-17)11-13-3-2-4-14(18)9-13/h2-4,9,15H,5-8,10-12H2,1H3,(H,21,22)
InChIKeyBJUGUOXFVYMLQD-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.20
Rot. Bonds3

About 8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56916504) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56916504
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(Cc3cccc(F)c3)CC2)CC1C(=O)O
InChIInChI=1S/C17H23FN2O2/c1-19-12-17(10-15(19)16(21)22)5-7-20(8-6-17)11-13-3-2-4-14(18)9-13/h2-4,9,15H,5-8,10-12H2,1H3,(H,21,22)
InChIKeyBJUGUOXFVYMLQD-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56916504) is 8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CN1CC2(CCN(Cc3cccc(F)c3)CC2)CC1C(=O)O.
What is the InChIKey of 8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is BJUGUOXFVYMLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-19-12-17(10-15(19)16(21)22)5-7-20(8-6-17)11-13-3-2-4-14(18)9-13/h2-4,9,15H,5-8,10-12H2,1H3,(H,21,22).
What are the key properties of 8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56916504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).