8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H21FN2O4 — CID 72885920

IUPAC8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C18H21FN2O4/c1-20-15(22)11-14(17(24)25)18(20)5-7-21(8-6-18)16(23)10-12-3-2-4-13(19)9-12/h2-4,9,14H,5-8,10-11H2,1H3,(H,24,25)
InChIKeyLHOYRZFJNMRVTC-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.29
Rot. Bonds3

About 8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72885920) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72885920
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(C(=O)Cc1cccc(F)c1)CC2
InChIInChI=1S/C18H21FN2O4/c1-20-15(22)11-14(17(24)25)18(20)5-7-21(8-6-18)16(23)10-12-3-2-4-13(19)9-12/h2-4,9,14H,5-8,10-11H2,1H3,(H,24,25)
InChIKeyLHOYRZFJNMRVTC-UHFFFAOYSA-N
XLogP1.29
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72885920) is 8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(C(=O)Cc1cccc(F)c1)CC2.
What is the InChIKey of 8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is LHOYRZFJNMRVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-20-15(22)11-14(17(24)25)18(20)5-7-21(8-6-18)16(23)10-12-3-2-4-13(19)9-12/h2-4,9,14H,5-8,10-11H2,1H3,(H,24,25).
What are the key properties of 8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 348.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-fluorophenyl)acetyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72885920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).