1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane

C20H25FN2O3S — CID 142982952

IUPAC1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane
SMILESCC.CC(=O)c1csc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H19FN2O3S.C2H6/c1-12(22)16-11-25-18(20-16)13-6-8-21(9-7-13)17(23)10-24-15-4-2-14(19)3-5-15;1-2/h2-5,11,13H,6-10H2,1H3;1-2H3
InChIKeyUJMYBNWCUXUOGD-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.30
Rot. Bonds5

About 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane

1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane (PubChem CID 142982952) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane.

Molecular Properties

Compound Name1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane
PubChem CID142982952
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane
SMILESCC.CC(=O)c1csc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H19FN2O3S.C2H6/c1-12(22)16-11-25-18(20-16)13-6-8-21(9-7-13)17(23)10-24-15-4-2-14(19)3-5-15;1-2/h2-5,11,13H,6-10H2,1H3;1-2H3
InChIKeyUJMYBNWCUXUOGD-UHFFFAOYSA-N
XLogP4.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 5158249
2-(3,4-dimethylphenoxy)-1-[4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 3723404
2-(4-fluorophenoxy)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 125021789
1-[4-[4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 3468272
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3788057
N-[(4-chloro-2-fluorophenyl)methyl]-2-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 4983891
N-(2H-benzotriazol-5-yl)-2-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23994094
2-(4-fluorophenoxy)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
CID 121069871
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3798796
2-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-N'-methyl-N'-phenyl-1,3-thiazole-4-carbohydrazide
CID 3684625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane?
The IUPAC name of 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane (CID 142982952) is 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane.
What is the SMILES notation for 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane?
The canonical SMILES for 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane is CC.CC(=O)c1csc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane?
The InChIKey is UJMYBNWCUXUOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S.C2H6/c1-12(22)16-11-25-18(20-16)13-6-8-21(9-7-13)17(23)10-24-15-4-2-14(19)3-5-15;1-2/h2-5,11,13H,6-10H2,1H3;1-2H3.
What are the key properties of 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane?
1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane has a molecular weight of 392.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone;ethane is sourced from PubChem (CID 142982952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).