(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone

C18H22N2O2S — CID 121094253

IUPAC(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
SMILESCc1csc(COc2ccc(C(=O)N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C18H22N2O2S/c1-13-7-9-20(10-8-13)18(21)15-3-5-16(6-4-15)22-11-17-19-14(2)12-23-17/h3-6,12-13H,7-11H2,1-2H3
InChIKeyOKEAWTPFLORSMV-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.90
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone

(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone (PubChem CID 121094253) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
PubChem CID121094253
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
SMILESCc1csc(COc2ccc(C(=O)N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C18H22N2O2S/c1-13-7-9-20(10-8-13)18(21)15-3-5-16(6-4-15)22-11-17-19-14(2)12-23-17/h3-6,12-13H,7-11H2,1-2H3
InChIKeyOKEAWTPFLORSMV-UHFFFAOYSA-N
XLogP3.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 121094251
(4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094263
(4-methylpiperidin-1-yl)-[1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 55949056
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282
(4-methylpiperidin-1-yl)-[4-[(1-methyltetrazol-5-yl)methoxy]phenyl]methanone
CID 71830519
(4-methoxypiperidin-1-yl)-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanone
CID 56810579
[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 20916689
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
1-(4-benzoylpiperazin-1-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31189065

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone (CID 121094253) is (4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone is Cc1csc(COc2ccc(C(=O)N3CCC(C)CC3)cc2)n1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone?
The InChIKey is OKEAWTPFLORSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-7-9-20(10-8-13)18(21)15-3-5-16(6-4-15)22-11-17-19-14(2)12-23-17/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone?
(4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone has a molecular weight of 330.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 121094253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).