[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone

C12H18N2O2S — CID 82120170

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC(O)CN1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C12H18N2O2S/c1-10(15)9-13-4-6-14(7-5-13)12(16)11-3-2-8-17-11/h2-3,8,10,15H,4-7,9H2,1H3
InChIKeyQSFWUQAGXDTMKR-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.89
Rot. Bonds3

About [4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 82120170) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID82120170
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC(O)CN1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C12H18N2O2S/c1-10(15)9-13-4-6-14(7-5-13)12(16)11-3-2-8-17-11/h2-3,8,10,15H,4-7,9H2,1H3
InChIKeyQSFWUQAGXDTMKR-UHFFFAOYSA-N
XLogP0.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2S)-2-[4-[(2S)-butan-2-yl]phenyl]-2-hydroxyethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 8005079
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 134034140
3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 95607220
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 82120170) is [4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone is CC(O)CN1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QSFWUQAGXDTMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(15)9-13-4-6-14(7-5-13)12(16)11-3-2-8-17-11/h2-3,8,10,15H,4-7,9H2,1H3.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 254.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 82120170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).