1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone

C17H20N2O2S — CID 139793521

IUPAC1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccccc2OCc2ccsc2)CC1
InChIInChI=1S/C17H20N2O2S/c1-14(20)18-7-9-19(10-8-18)16-4-2-3-5-17(16)21-12-15-6-11-22-13-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeyXSHPFBSCTNWMAP-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.00
Rot. Bonds4

About 1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone

1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone (PubChem CID 139793521) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone
PubChem CID139793521
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccccc2OCc2ccsc2)CC1
InChIInChI=1S/C17H20N2O2S/c1-14(20)18-7-9-19(10-8-18)16-4-2-3-5-17(16)21-12-15-6-11-22-13-15/h2-6,11,13H,7-10,12H2,1H3
InChIKeyXSHPFBSCTNWMAP-UHFFFAOYSA-N
XLogP3.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone (CID 139793521) is 1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccccc2OCc2ccsc2)CC1.
What is the InChIKey of 1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone?
The InChIKey is XSHPFBSCTNWMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-14(20)18-7-9-19(10-8-18)16-4-2-3-5-17(16)21-12-15-6-11-22-13-15/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone?
1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone has a molecular weight of 316.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(thiophen-3-ylmethoxy)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139793521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).