3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

C18H22N2O4S — CID 25473522

IUPAC3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CN3CSCC3=O)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-24-15-4-2-13(3-5-15)18(23)14-6-8-19(9-7-14)16(21)10-20-12-25-11-17(20)22/h2-5,14H,6-12H2,1H3
InChIKeyUTUILWUNWGRJEW-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.65
Rot. Bonds5

About 3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 25473522) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID25473522
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CN3CSCC3=O)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-24-15-4-2-13(3-5-15)18(23)14-6-8-19(9-7-14)16(21)10-20-12-25-11-17(20)22/h2-5,14H,6-12H2,1H3
InChIKeyUTUILWUNWGRJEW-UHFFFAOYSA-N
XLogP1.65
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 33365745
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 55500827
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 25474842
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9273589
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
CID 55791274
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 41307437
(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one
CID 55909786

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 25473522) is 3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is COc1ccc(C(=O)C2CCN(C(=O)CN3CSCC3=O)CC2)cc1.
What is the InChIKey of 3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is UTUILWUNWGRJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-24-15-4-2-13(3-5-15)18(23)14-6-8-19(9-7-14)16(21)10-20-12-25-11-17(20)22/h2-5,14H,6-12H2,1H3.
What are the key properties of 3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 362.45 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 25473522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).