2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C19H24N2O2S — CID 110114408

IUPAC2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(C)(c2ncc(C)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-14-13-20-18(24-14)19(2)8-10-21(11-9-19)17(22)12-15-6-4-5-7-16(15)23-3/h4-7,13H,8-12H2,1-3H3
InChIKeyFZRDYTLTMCVFAQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.58
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 110114408) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID110114408
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(C)(c2ncc(C)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-14-13-20-18(24-14)19(2)8-10-21(11-9-19)17(22)12-15-6-4-5-7-16(15)23-3/h4-7,13H,8-12H2,1-3H3
InChIKeyFZRDYTLTMCVFAQ-UHFFFAOYSA-N
XLogP3.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110114410
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110114440
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110114434
6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135
1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110818906
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 110114467
2-ethyl-1-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 110818064
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
1-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72903184

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 110114408) is 2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCC(C)(c2ncc(C)s2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is FZRDYTLTMCVFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-13-20-18(24-14)19(2)8-10-21(11-9-19)17(22)12-15-6-4-5-7-16(15)23-3/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 344.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110114408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).