2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C18H22N2O3S — CID 110289792

IUPAC2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3nccs3)CC2)cc1OC
InChIInChI=1S/C18H22N2O3S/c1-22-15-4-3-13(11-16(15)23-2)12-17(21)20-8-5-14(6-9-20)18-19-7-10-24-18/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3
InChIKeyNWNQRTWGMGYTPD-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.11
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 110289792) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID110289792
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3nccs3)CC2)cc1OC
InChIInChI=1S/C18H22N2O3S/c1-22-15-4-3-13(11-16(15)23-2)12-17(21)20-8-5-14(6-9-20)18-19-7-10-24-18/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3
InChIKeyNWNQRTWGMGYTPD-UHFFFAOYSA-N
XLogP3.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289796
2-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136850226
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 110289836
(5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110628740
2-(3,4-dimethylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110308169
4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379727
1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420365
2-(3,4-dimethoxyphenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364994
4-chloro-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 108570291
2-(3,4-dimethoxyphenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906661

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 110289792) is 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(c3nccs3)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is NWNQRTWGMGYTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-15-4-3-13(11-16(15)23-2)12-17(21)20-8-5-14(6-9-20)18-19-7-10-24-18/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 346.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110289792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).