1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one

C20H24FNOS — CID 71510684

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
SMILESCC1CC(C)CN(C(=O)CC(c2ccc(F)cc2)c2cccs2)C1
InChIInChI=1S/C20H24FNOS/c1-14-10-15(2)13-22(12-14)20(23)11-18(19-4-3-9-24-19)16-5-7-17(21)8-6-16/h3-9,14-15,18H,10-13H2,1-2H3
InChIKeyHQRTUHRTOTWMOW-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.91
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one

1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 71510684) has the molecular formula C20H24FNOS and a molecular weight of 345.48 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
PubChem CID71510684
Molecular FormulaC20H24FNOS
Molecular Weight345.48 g/mol
Exact Mass345.16
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
SMILESCC1CC(C)CN(C(=O)CC(c2ccc(F)cc2)c2cccs2)C1
InChIInChI=1S/C20H24FNOS/c1-14-10-15(2)13-22(12-14)20(23)11-18(19-4-3-9-24-19)16-5-7-17(21)8-6-16/h3-9,14-15,18H,10-13H2,1-2H3
InChIKeyHQRTUHRTOTWMOW-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-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

3-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 71510824
3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 71510686
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
(3S,4S)-1-[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120903
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
CID 17404206
3-(1,3-benzodioxol-5-yl)-1-(3-methylpiperazin-4-id-1-yl)-3-thiophen-2-ylpropan-1-one;rubidium(1+)
CID 144552270
3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluoro-2-hydroxyphenyl)propan-1-one
CID 89475307
1-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid
CID 3896061
N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 24595097
1-[2-(4-fluorophenyl)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119547
1-[2-(4-fluorophenyl)butanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122117274
1-[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118066

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one (CID 71510684) is 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one is CC1CC(C)CN(C(=O)CC(c2ccc(F)cc2)c2cccs2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is HQRTUHRTOTWMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNOS/c1-14-10-15(2)13-22(12-14)20(23)11-18(19-4-3-9-24-19)16-5-7-17(21)8-6-16/h3-9,14-15,18H,10-13H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 345.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 71510684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).