(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C17H20N2O3S — CID 110289762

IUPAC(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(c3nccs3)CC2)c1
InChIInChI=1S/C17H20N2O3S/c1-21-14-9-13(10-15(11-14)22-2)17(20)19-6-3-12(4-7-19)16-18-5-8-23-16/h5,8-12H,3-4,6-7H2,1-2H3
InChIKeyPGWNHCLXKVNPOO-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.18
Rot. Bonds4

About (3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110289762) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110289762
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(c3nccs3)CC2)c1
InChIInChI=1S/C17H20N2O3S/c1-21-14-9-13(10-15(11-14)22-2)17(20)19-6-3-12(4-7-19)16-18-5-8-23-16/h5,8-12H,3-4,6-7H2,1-2H3
InChIKeyPGWNHCLXKVNPOO-UHFFFAOYSA-N
XLogP3.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110628740
2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313553
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
3-(4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110308197
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289792
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
2-(2-methoxyphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289796
2-(3,4-dimethylphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110308169
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110289798

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110289762) is (3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCC(c3nccs3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PGWNHCLXKVNPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-21-14-9-13(10-15(11-14)22-2)17(20)19-6-3-12(4-7-19)16-18-5-8-23-16/h5,8-12H,3-4,6-7H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110289762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).