(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone

C18H22N2OS — CID 75423131

IUPAC(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1csc(-c2ccc(C(=O)N3CC(C)CCC3C)cc2)n1
InChIInChI=1S/C18H22N2OS/c1-12-4-5-14(3)20(10-12)18(21)16-8-6-15(7-9-16)17-19-13(2)11-22-17/h6-9,11-12,14H,4-5,10H2,1-3H3
InChIKeyCYLCTUWRYSWWFB-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.38
Rot. Bonds2

About (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone

(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 75423131) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
PubChem CID75423131
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1csc(-c2ccc(C(=O)N3CC(C)CCC3C)cc2)n1
InChIInChI=1S/C18H22N2OS/c1-12-4-5-14(3)20(10-12)18(21)16-8-6-15(7-9-16)17-19-13(2)11-22-17/h6-9,11-12,14H,4-5,10H2,1-3H3
InChIKeyCYLCTUWRYSWWFB-UHFFFAOYSA-N
XLogP4.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone (CID 75423131) is (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone is Cc1csc(-c2ccc(C(=O)N3CC(C)CCC3C)cc2)n1.
What is the InChIKey of (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is CYLCTUWRYSWWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-12-4-5-14(3)20(10-12)18(21)16-8-6-15(7-9-16)17-19-13(2)11-22-17/h6-9,11-12,14H,4-5,10H2,1-3H3.
What are the key properties of (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 314.45 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 75423131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).