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

C16H26N4OS — CID 53158598

IUPAC1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1
InChIInChI=1S/C16H26N4OS/c1-13-3-5-18(6-4-13)11-15-12-22-16(17-15)20-9-7-19(8-10-20)14(2)21/h12-13H,3-11H2,1-2H3
InChIKeyVWJFJHLNCGPENH-UHFFFAOYSA-N
MW322.48 g/mol
LogP2.04
Rot. Bonds3

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

1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 53158598) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID53158598
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1
InChIInChI=1S/C16H26N4OS/c1-13-3-5-18(6-4-13)11-15-12-22-16(17-15)20-9-7-19(8-10-20)14(2)21/h12-13H,3-11H2,1-2H3
InChIKeyVWJFJHLNCGPENH-UHFFFAOYSA-N
XLogP2.04
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (CID 53158598) is 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1.
What is the InChIKey of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is VWJFJHLNCGPENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-13-3-5-18(6-4-13)11-15-12-22-16(17-15)20-9-7-19(8-10-20)14(2)21/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 322.48 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53158598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).