2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid

C23H26F2N2O3 — CID 118962965

IUPAC2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid
SMILESCOC1CCN(C(=O)O)CC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C23H26F2N2O3/c1-30-20-10-12-27(22(28)29)15-23(20)11-13-26(14-23)21(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,20-21H,10-15H2,1H3,(H,28,29)
InChIKeyMWBVQYOXHVYYDA-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.14
Rot. Bonds4

About 2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid

2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid (PubChem CID 118962965) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid
PubChem CID118962965
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid
SMILESCOC1CCN(C(=O)O)CC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C23H26F2N2O3/c1-30-20-10-12-27(22(28)29)15-23(20)11-13-26(14-23)21(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,20-21H,10-15H2,1H3,(H,28,29)
InChIKeyMWBVQYOXHVYYDA-UHFFFAOYSA-N
XLogP4.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of 2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid (CID 118962965) is 2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for 2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid is COC1CCN(C(=O)O)CC12CCN(C(c1ccc(F)cc1)c1ccc(F)cc1)C2.
What is the InChIKey of 2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is MWBVQYOXHVYYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-30-20-10-12-27(22(28)29)15-23(20)11-13-26(14-23)21(16-2-6-18(24)7-3-16)17-4-8-19(25)9-5-17/h2-9,20-21H,10-15H2,1H3,(H,28,29).
What are the key properties of 2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid?
2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid has a molecular weight of 416.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methyl]-10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 118962965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).