1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone

C16H27N5O2S — CID 154867593

IUPAC1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone
SMILESCCc1nsc(N2CCN(C(=O)COC3CCN(C)CC3)CC2)n1
InChIInChI=1S/C16H27N5O2S/c1-3-14-17-16(24-18-14)21-10-8-20(9-11-21)15(22)12-23-13-4-6-19(2)7-5-13/h13H,3-12H2,1-2H3
InChIKeySUPVPPTVRLCZFV-UHFFFAOYSA-N
MW353.49 g/mol
LogP0.86
Rot. Bonds5

About 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone

1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone (PubChem CID 154867593) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone
PubChem CID154867593
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone
SMILESCCc1nsc(N2CCN(C(=O)COC3CCN(C)CC3)CC2)n1
InChIInChI=1S/C16H27N5O2S/c1-3-14-17-16(24-18-14)21-10-8-20(9-11-21)15(22)12-23-13-4-6-19(2)7-5-13/h13H,3-12H2,1-2H3
InChIKeySUPVPPTVRLCZFV-UHFFFAOYSA-N
XLogP0.86
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone?
The IUPAC name of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone (CID 154867593) is 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone.
What is the SMILES notation for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone?
The canonical SMILES for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone is CCc1nsc(N2CCN(C(=O)COC3CCN(C)CC3)CC2)n1.
What is the InChIKey of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone?
The InChIKey is SUPVPPTVRLCZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-3-14-17-16(24-18-14)21-10-8-20(9-11-21)15(22)12-23-13-4-6-19(2)7-5-13/h13H,3-12H2,1-2H3.
What are the key properties of 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone?
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone has a molecular weight of 353.49 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(1-methylpiperidin-4-yl)oxyethanone is sourced from PubChem (CID 154867593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).