1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone

C24H27FN4OS — CID 5134364

IUPAC1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone
SMILESCN(CC(=O)N1CCC(Cc2ccccc2)CC1)c1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C24H27FN4OS/c1-28(24-26-22(27-31-24)16-19-7-9-21(25)10-8-19)17-23(30)29-13-11-20(12-14-29)15-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3
InChIKeyGNLWUIBLCNIRAF-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.19
Rot. Bonds7

About 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone

1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone (PubChem CID 5134364) has the molecular formula C24H27FN4OS and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone
PubChem CID5134364
Molecular FormulaC24H27FN4OS
Molecular Weight438.57 g/mol
Exact Mass438.19
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone
SMILESCN(CC(=O)N1CCC(Cc2ccccc2)CC1)c1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C24H27FN4OS/c1-28(24-26-22(27-31-24)16-19-7-9-21(25)10-8-19)17-23(30)29-13-11-20(12-14-29)15-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3
InChIKeyGNLWUIBLCNIRAF-UHFFFAOYSA-N
XLogP4.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone with MolForge

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Related Compounds

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4-[(2-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
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2-(2-Fluorophenyl)-1-(4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl)ethanone
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(4-Benzylpiperidin-1-yl)(3-methyl-1,2,4-thiadiazol-5-yl)methanone
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CID 3405022
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(3-methylbutyl)propanamide
CID 3406711
N-[5-(diethylamino)pentan-2-yl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
CID 4202557
2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-pentylacetamide
CID 4326975
2-(4-fluorophenyl)-N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone (CID 5134364) is 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone is CN(CC(=O)N1CCC(Cc2ccccc2)CC1)c1nc(Cc2ccc(F)cc2)ns1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone?
The InChIKey is GNLWUIBLCNIRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4OS/c1-28(24-26-22(27-31-24)16-19-7-9-21(25)10-8-19)17-23(30)29-13-11-20(12-14-29)15-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone has a molecular weight of 438.57 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone is sourced from PubChem (CID 5134364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).