1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone

C14H22N4OS — CID 22893118

IUPAC1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N2CCN(C3CCNCC3)CC2)n1
InChIInChI=1S/C14H22N4OS/c1-11(19)13-10-20-14(16-13)18-8-6-17(7-9-18)12-2-4-15-5-3-12/h10,12,15H,2-9H2,1H3
InChIKeyRYHLPEIPYWMBST-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.22
Rot. Bonds3

About 1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 22893118) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID22893118
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N2CCN(C3CCNCC3)CC2)n1
InChIInChI=1S/C14H22N4OS/c1-11(19)13-10-20-14(16-13)18-8-6-17(7-9-18)12-2-4-15-5-3-12/h10,12,15H,2-9H2,1H3
InChIKeyRYHLPEIPYWMBST-UHFFFAOYSA-N
XLogP1.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone (CID 22893118) is 1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(N2CCN(C3CCNCC3)CC2)n1.
What is the InChIKey of 1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is RYHLPEIPYWMBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-11(19)13-10-20-14(16-13)18-8-6-17(7-9-18)12-2-4-15-5-3-12/h10,12,15H,2-9H2,1H3.
What are the key properties of 1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 294.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 22893118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).