4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one

C20H22FNOS — CID 19963570

IUPAC4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCN1CC2CC(c3ccc(F)cc3)C2C1)c1cccs1
InChIInChI=1S/C20H22FNOS/c21-16-7-5-14(6-8-16)17-11-15-12-22(13-18(15)17)9-1-3-19(23)20-4-2-10-24-20/h2,4-8,10,15,17-18H,1,3,9,11-13H2
InChIKeyIEWMSXRYDTXBRF-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.59
Rot. Bonds6

About 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one

4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one (PubChem CID 19963570) has the molecular formula C20H22FNOS and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one
PubChem CID19963570
Molecular FormulaC20H22FNOS
Molecular Weight343.47 g/mol
Exact Mass343.14
IUPAC Name4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCN1CC2CC(c3ccc(F)cc3)C2C1)c1cccs1
InChIInChI=1S/C20H22FNOS/c21-16-7-5-14(6-8-16)17-11-15-12-22(13-18(15)17)9-1-3-19(23)20-4-2-10-24-20/h2,4-8,10,15,17-18H,1,3,9,11-13H2
InChIKeyIEWMSXRYDTXBRF-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R,6S)-3-(2-chloroethyl)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptane
CID 20692808
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
1-[4-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]butyl]-3,4-dihydro-1-benzazepine-2,5-dione;hydrochloride
CID 68584199
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 112626449
1-thiophen-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62968235
4-[3-(dimethylamino)pyrrolidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 63163843
4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide
CID 22405862
4-[3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 60688496
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-thiophen-2-ylbutan-1-one
CID 12629945
4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one
CID 60692143
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 107228085
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 46579199

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one (CID 19963570) is 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one is O=C(CCCN1CC2CC(c3ccc(F)cc3)C2C1)c1cccs1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one?
The InChIKey is IEWMSXRYDTXBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNOS/c21-16-7-5-14(6-8-16)17-11-15-12-22(13-18(15)17)9-1-3-19(23)20-4-2-10-24-20/h2,4-8,10,15,17-18H,1,3,9,11-13H2.
What are the key properties of 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one?
4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one has a molecular weight of 343.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 19963570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).