1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one

C16H18N2O2S — CID 8934402

IUPAC1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
SMILESCOc1cccc(-c2nc(CN3CCC(=O)CC3)cs2)c1
InChIInChI=1S/C16H18N2O2S/c1-20-15-4-2-3-12(9-15)16-17-13(11-21-16)10-18-7-5-14(19)6-8-18/h2-4,9,11H,5-8,10H2,1H3
InChIKeyPQKBVGSDQDIJEE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.98
Rot. Bonds4

About 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one

1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one (PubChem CID 8934402) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
PubChem CID8934402
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one
SMILESCOc1cccc(-c2nc(CN3CCC(=O)CC3)cs2)c1
InChIInChI=1S/C16H18N2O2S/c1-20-15-4-2-3-12(9-15)16-17-13(11-21-16)10-18-7-5-14(19)6-8-18/h2-4,9,11H,5-8,10H2,1H3
InChIKeyPQKBVGSDQDIJEE-UHFFFAOYSA-N
XLogP2.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132380
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907156
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
[1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 51326235
(3,4-dimethoxyphenyl)-[4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 55543399
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 51173526
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121159
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 146087786
2-(3-methoxyphenyl)-4-[[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 33458433
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one?
The IUPAC name of 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one (CID 8934402) is 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one.
What is the SMILES notation for 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one?
The canonical SMILES for 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one is COc1cccc(-c2nc(CN3CCC(=O)CC3)cs2)c1.
What is the InChIKey of 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one?
The InChIKey is PQKBVGSDQDIJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-15-4-2-3-12(9-15)16-17-13(11-21-16)10-18-7-5-14(19)6-8-18/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one?
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one has a molecular weight of 302.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-one is sourced from PubChem (CID 8934402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).