(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone

C18H22N2O3S — CID 56810579

IUPAC(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
SMILESCOC1CCN(C(=O)c2csc(COc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C18H22N2O3S/c1-13-3-5-15(6-4-13)23-11-17-19-16(12-24-17)18(21)20-9-7-14(22-2)8-10-20/h3-6,12,14H,7-11H2,1-2H3
InChIKeyBYIIVEZGCCZYIS-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.28
Rot. Bonds5

About (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone

(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone (PubChem CID 56810579) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
PubChem CID56810579
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
SMILESCOC1CCN(C(=O)c2csc(COc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C18H22N2O3S/c1-13-3-5-15(6-4-13)23-11-17-19-16(12-24-17)18(21)20-9-7-14(22-2)8-10-20/h3-6,12,14H,7-11H2,1-2H3
InChIKeyBYIIVEZGCCZYIS-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

[4-[2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115159
(4-benzyl-1,4-diazepan-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 18157563
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 46510444
[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 24712422
(3S)-1-[2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 94512708
[4-[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55976105
1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 48578478
morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 24712645
(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094253
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24672462

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone (CID 56810579) is (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone is COC1CCN(C(=O)c2csc(COc3ccc(C)cc3)n2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone?
The InChIKey is BYIIVEZGCCZYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-3-5-15(6-4-13)23-11-17-19-16(12-24-17)18(21)20-9-7-14(22-2)8-10-20/h3-6,12,14H,7-11H2,1-2H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone?
(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone has a molecular weight of 346.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 56810579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).