2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

C18H19FN2OS — CID 131655996

IUPAC2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(Cc3ccsc3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C18H19FN2OS/c19-15-2-1-3-16(8-15)21-13-18(9-17(21)22)5-6-20(12-18)10-14-4-7-23-11-14/h1-4,7-8,11H,5-6,9-10,12-13H2
InChIKeyYOPVSXDZQAAMHC-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.52
Rot. Bonds3

About 2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131655996) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131655996
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCN(Cc3ccsc3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C18H19FN2OS/c19-15-2-1-3-16(8-15)21-13-18(9-17(21)22)5-6-20(12-18)10-14-4-7-23-11-14/h1-4,7-8,11H,5-6,9-10,12-13H2
InChIKeyYOPVSXDZQAAMHC-UHFFFAOYSA-N
XLogP3.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 653269
2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
1-((1-(4-Fluorophenyl)-5-oxopyrrolidin-3-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 16920104
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide
CID 42959536
N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 47035112
1-(4-fluorophenyl)-5-oxo-N-[2-(thiophen-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 49675549
N-[1-(3-fluorophenyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 72007210
(3aR,6aS)-2-[(4-fluorophenyl)methyl]-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97376783
(5S,9S)-7-(3-fluorobenzoyl)-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471809
2-(3-Methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118738800
2-(3-Fluorophenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118738801
N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118739321

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131655996) is 2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is O=C1CC2(CCN(Cc3ccsc3)C2)CN1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is YOPVSXDZQAAMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c19-15-2-1-3-16(8-15)21-13-18(9-17(21)22)5-6-20(12-18)10-14-4-7-23-11-14/h1-4,7-8,11H,5-6,9-10,12-13H2.
What are the key properties of 2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 330.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131655996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).