2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H23FN2O3 — CID 56893786

IUPAC2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCNCC2)CN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C18H23FN2O3/c19-14-4-1-13(2-5-14)3-6-16(22)21-12-18(7-9-20-10-8-18)11-15(21)17(23)24/h1-2,4-5,15,20H,3,6-12H2,(H,23,24)
InChIKeyWQLNAFJOPMPVGB-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.81
Rot. Bonds4

About 2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56893786) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56893786
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCNCC2)CN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C18H23FN2O3/c19-14-4-1-13(2-5-14)3-6-16(22)21-12-18(7-9-20-10-8-18)11-15(21)17(23)24/h1-2,4-5,15,20H,3,6-12H2,(H,23,24)
InChIKeyWQLNAFJOPMPVGB-UHFFFAOYSA-N
XLogP1.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56893786) is 2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCNCC2)CN1C(=O)CCc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is WQLNAFJOPMPVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-14-4-1-13(2-5-14)3-6-16(22)21-12-18(7-9-20-10-8-18)11-15(21)17(23)24/h1-2,4-5,15,20H,3,6-12H2,(H,23,24).
What are the key properties of 2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 334.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56893786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).