(2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone

C24H25FN2O3S — CID 45191829

IUPAC(2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)c(OC)c1
InChIInChI=1S/C24H25FN2O3S/c1-29-19-9-10-20(22(12-19)30-2)24(28)17-4-3-11-27(13-17)14-23-26-21(15-31-23)16-5-7-18(25)8-6-16/h5-10,12,15,17H,3-4,11,13-14H2,1-2H3
InChIKeyXJWNEELORZHWQF-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.06
Rot. Bonds7

About (2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone

(2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone (PubChem CID 45191829) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
PubChem CID45191829
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC Name(2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)c(OC)c1
InChIInChI=1S/C24H25FN2O3S/c1-29-19-9-10-20(22(12-19)30-2)24(28)17-4-3-11-27(13-17)14-23-26-21(15-31-23)16-5-7-18(25)8-6-16/h5-10,12,15,17H,3-4,11,13-14H2,1-2H3
InChIKeyXJWNEELORZHWQF-UHFFFAOYSA-N
XLogP5.06
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 26400044
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45245905
(2,4-dimethoxyphenyl)-[(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460173
(2,4-dimethoxyphenyl)-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25364455
(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone
CID 25492240
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463699
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99943600
4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone (CID 45191829) is (2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone is COc1ccc(C(=O)C2CCCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone?
The InChIKey is XJWNEELORZHWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-29-19-9-10-20(22(12-19)30-2)24(28)17-4-3-11-27(13-17)14-23-26-21(15-31-23)16-5-7-18(25)8-6-16/h5-10,12,15,17H,3-4,11,13-14H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone?
(2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone has a molecular weight of 440.54 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45191829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).