4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one

C14H22N2O2S — CID 79200562

IUPAC4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-12(17)2-3-14(18)16-7-5-15(6-8-16)10-13-4-9-19-11-13/h4,9,11-12,17H,2-3,5-8,10H2,1H3
InChIKeyAUESEKYYRCFUAI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.55
Rot. Bonds5

About 4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one

4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one (PubChem CID 79200562) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
PubChem CID79200562
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCC(O)CCC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-12(17)2-3-14(18)16-7-5-15(6-8-16)10-13-4-9-19-11-13/h4,9,11-12,17H,2-3,5-8,10H2,1H3
InChIKeyAUESEKYYRCFUAI-UHFFFAOYSA-N
XLogP1.55
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one (CID 79200562) is 4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one is CC(O)CCC(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one?
The InChIKey is AUESEKYYRCFUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12(17)2-3-14(18)16-7-5-15(6-8-16)10-13-4-9-19-11-13/h4,9,11-12,17H,2-3,5-8,10H2,1H3.
What are the key properties of 4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one?
4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one has a molecular weight of 282.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 79200562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).