1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one

C22H26FN3O2S — CID 46078549

IUPAC1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCN2CCc3sccc3C2c2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O2S/c1-16(27)24-10-12-25(13-11-24)21(28)6-9-26-8-5-20-19(7-14-29-20)22(26)17-3-2-4-18(23)15-17/h2-4,7,14-15,22H,5-6,8-13H2,1H3
InChIKeyQZSDFBNUSFFJEI-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one

1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (PubChem CID 46078549) has the molecular formula C22H26FN3O2S and a molecular weight of 415.53 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
PubChem CID46078549
Molecular FormulaC22H26FN3O2S
Molecular Weight415.53 g/mol
Exact Mass415.17
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCN2CCc3sccc3C2c2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O2S/c1-16(27)24-10-12-25(13-11-24)21(28)6-9-26-8-5-20-19(7-14-29-20)22(26)17-3-2-4-18(23)15-17/h2-4,7,14-15,22H,5-6,8-13H2,1H3
InChIKeyQZSDFBNUSFFJEI-UHFFFAOYSA-N
XLogP2.92
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-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

1-[4-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 15697378
12-(Cyclohexanecarbonyl)-5-thia-9,12-diazatricyclo[7.4.0.02,6]trideca-2(6),3-dien-10-one
CID 13144478
[4-(1-Benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 1131749
2-(4-Fluorophenyl)-N-[1-(4-methylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 3236509
2-(2-methylbutylamino)-1-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 71738783
[5-(4-Fluorobenzoyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl](4-propylpiperazino)methanone
CID 53159043
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 9551603
N-[1-(4-Benzylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]-2-oxo-2-(piperidin-1-YL)acetamide
CID 20866415
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817119
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(prop-2-enylamino)ethanone
CID 3421591
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one (CID 46078549) is 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one is CC(=O)N1CCN(C(=O)CCN2CCc3sccc3C2c2cccc(F)c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
The InChIKey is QZSDFBNUSFFJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2S/c1-16(27)24-10-12-25(13-11-24)21(28)6-9-26-8-5-20-19(7-14-29-20)22(26)17-3-2-4-18(23)15-17/h2-4,7,14-15,22H,5-6,8-13H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one has a molecular weight of 415.53 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 46078549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).