2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

C17H28N4O2S — CID 53158729

IUPAC2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1
InChIInChI=1S/C17H28N4O2S/c1-14-3-5-19(6-4-14)11-15-13-24-17(18-15)21-9-7-20(8-10-21)16(22)12-23-2/h13-14H,3-12H2,1-2H3
InChIKeyKUYADGXLULSULK-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.67
Rot. Bonds5

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

2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 53158729) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID53158729
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1
InChIInChI=1S/C17H28N4O2S/c1-14-3-5-19(6-4-14)11-15-13-24-17(18-15)21-9-7-20(8-10-21)16(22)12-23-2/h13-14H,3-12H2,1-2H3
InChIKeyKUYADGXLULSULK-UHFFFAOYSA-N
XLogP1.67
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (CID 53158729) is 2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is KUYADGXLULSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-14-3-5-19(6-4-14)11-15-13-24-17(18-15)21-9-7-20(8-10-21)16(22)12-23-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 352.50 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53158729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).