(2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one

C21H23FN2O — CID 90016707

IUPAC(2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESCCN1CC[C@]2(CC[C@H](c3cccc(-c4ccccc4F)c3)N2)C1=O
InChIInChI=1S/C21H23FN2O/c1-2-24-13-12-21(20(24)25)11-10-19(23-21)16-7-5-6-15(14-16)17-8-3-4-9-18(17)22/h3-9,14,19,23H,2,10-13H2,1H3/t19-,21-/m1/s1
InChIKeySDGSWZQLZCOXTH-TZIWHRDSSA-N
MW338.43 g/mol
LogP3.91
Rot. Bonds3

About (2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one

(2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 90016707) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is (2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID90016707
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name(2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILESCCN1CC[C@]2(CC[C@H](c3cccc(-c4ccccc4F)c3)N2)C1=O
InChIInChI=1S/C21H23FN2O/c1-2-24-13-12-21(20(24)25)11-10-19(23-21)16-7-5-6-15(14-16)17-8-3-4-9-18(17)22/h3-9,14,19,23H,2,10-13H2,1H3/t19-,21-/m1/s1
InChIKeySDGSWZQLZCOXTH-TZIWHRDSSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of (2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one (CID 90016707) is (2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for (2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for (2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one is CCN1CC[C@]2(CC[C@H](c3cccc(-c4ccccc4F)c3)N2)C1=O.
What is the InChIKey of (2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is SDGSWZQLZCOXTH-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-2-24-13-12-21(20(24)25)11-10-19(23-21)16-7-5-6-15(14-16)17-8-3-4-9-18(17)22/h3-9,14,19,23H,2,10-13H2,1H3/t19-,21-/m1/s1.
What are the key properties of (2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one?
(2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 338.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-7-ethyl-2-[3-(2-fluorophenyl)phenyl]-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 90016707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).