4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one

C13H20N2O2S — CID 82123450

IUPAC4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESCN1CCN(C(=O)CCC(O)c2cccs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-14-6-8-15(9-7-14)13(17)5-4-11(16)12-3-2-10-18-12/h2-3,10-11,16H,4-9H2,1H3
InChIKeyVVRYWERUCWSJPL-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.34
Rot. Bonds4

About 4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one

4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one (PubChem CID 82123450) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
PubChem CID82123450
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
SMILESCN1CCN(C(=O)CCC(O)c2cccs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-14-6-8-15(9-7-14)13(17)5-4-11(16)12-3-2-10-18-12/h2-3,10-11,16H,4-9H2,1H3
InChIKeyVVRYWERUCWSJPL-UHFFFAOYSA-N
XLogP1.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-morpholin-4-yl-4-thiophen-2-ylbutan-1-one
CID 82120337
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
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2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 71782994
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 90603435
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 47097552
2-(4-butanoylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile
CID 110349388
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 90603359
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110868327
2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
CID 94658858
3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43768081
1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 94658873

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one (CID 82123450) is 4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one is CN1CCN(C(=O)CCC(O)c2cccs2)CC1.
What is the InChIKey of 4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is VVRYWERUCWSJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-14-6-8-15(9-7-14)13(17)5-4-11(16)12-3-2-10-18-12/h2-3,10-11,16H,4-9H2,1H3.
What are the key properties of 4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one?
4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 268.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 82123450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).