1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone

C16H20N4O3S — CID 154884009

IUPAC1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone
SMILESCOc1cnc(OC2CCN(C(=O)Cc3cnc(C)s3)CC2)nc1
InChIInChI=1S/C16H20N4O3S/c1-11-17-10-14(24-11)7-15(21)20-5-3-12(4-6-20)23-16-18-8-13(22-2)9-19-16/h8-10,12H,3-7H2,1-2H3
InChIKeyVXEBKBRTUISNAD-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.86
Rot. Bonds5

About 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone

1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 154884009) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID154884009
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone
SMILESCOc1cnc(OC2CCN(C(=O)Cc3cnc(C)s3)CC2)nc1
InChIInChI=1S/C16H20N4O3S/c1-11-17-10-14(24-11)7-15(21)20-5-3-12(4-6-20)23-16-18-8-13(22-2)9-19-16/h8-10,12H,3-7H2,1-2H3
InChIKeyVXEBKBRTUISNAD-UHFFFAOYSA-N
XLogP1.86
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone with MolForge

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Related Compounds

[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 154583750
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70770204
2-bicyclo[2.2.1]hept-5-enyl-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154583672
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 154583725
1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 139023328
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830
3-(4-methoxyphenyl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558759
(2-chloro-6-fluorophenyl)-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154576628
2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70729934
4-[[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 154580773
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 154576711

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone (CID 154884009) is 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone is COc1cnc(OC2CCN(C(=O)Cc3cnc(C)s3)CC2)nc1.
What is the InChIKey of 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is VXEBKBRTUISNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-17-10-14(24-11)7-15(21)20-5-3-12(4-6-20)23-16-18-8-13(22-2)9-19-16/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone?
1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 348.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 154884009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).