(4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone

C20H24N2O3S — CID 24790856

IUPAC(4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCOc1c(C)cc(C(=O)C2CCCN(C(=O)c3csc(C)n3)C2)cc1C
InChIInChI=1S/C20H24N2O3S/c1-12-8-16(9-13(2)19(12)25-4)18(23)15-6-5-7-22(10-15)20(24)17-11-26-14(3)21-17/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyPZWIGKJKIRWFKE-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.81
Rot. Bonds4

About (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone

(4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 24790856) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone
PubChem CID24790856
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone
SMILESCOc1c(C)cc(C(=O)C2CCCN(C(=O)c3csc(C)n3)C2)cc1C
InChIInChI=1S/C20H24N2O3S/c1-12-8-16(9-13(2)19(12)25-4)18(23)15-6-5-7-22(10-15)20(24)17-11-26-14(3)21-17/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyPZWIGKJKIRWFKE-UHFFFAOYSA-N
XLogP3.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
(4-Methoxy-3,5-dimethylphenyl){1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-3-piperidinyl}methanone
CID 16190868
(4-Methoxy-3,5-dimethylphenyl)[1-(1,2,3-thiadiazol-4-ylcarbonyl)-3-piperidinyl]methanone
CID 16191254
(3-Isopropoxyphenyl){1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinyl}methanone
CID 24820095
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](morpholino)methanone
CID 1472612
1-(2-methoxybenzyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24790308
3-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42682542
Ethyl 4-(4-methoxybenzyl)-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4-piperidinecarboxylate
CID 16190545
(3-Fluoro-4-methoxyphenyl)(1-{[2-(methylthio)-1,3-thiazol-4-yl]carbonyl}-3-piperidinyl)methanone
CID 45180426
1-(4-Methoxybenzoyl)-4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperazine
CID 70752803
N,N-dimethyl-1-[4-({3-[(4-methylphenoxy)methyl]-1-piperidinyl}carbonyl)-1,3-thiazol-2-yl]methanamine
CID 70783164
1-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-4-(4-methoxybenzoyl)piperazine
CID 70783739

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone (CID 24790856) is (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone is COc1c(C)cc(C(=O)C2CCCN(C(=O)c3csc(C)n3)C2)cc1C.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is PZWIGKJKIRWFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12-8-16(9-13(2)19(12)25-4)18(23)15-6-5-7-22(10-15)20(24)17-11-26-14(3)21-17/h8-9,11,15H,5-7,10H2,1-4H3.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone?
(4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 372.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethylphenyl)-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 24790856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).