2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C18H24N3O2S+ — CID 9027655

IUPAC2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)NCCc1cccs1
InChIInChI=1S/C18H23N3O2S/c22-16-5-3-15(4-6-16)21-11-9-20(10-12-21)14-18(23)19-8-7-17-2-1-13-24-17/h1-6,13,22H,7-12,14H2,(H,19,23)/p+1
InChIKeyXCTYTEXMDUWZDD-UHFFFAOYSA-O
MW346.48 g/mol
LogP0.52
Rot. Bonds6

About 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 9027655) has the molecular formula C18H24N3O2S+ and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID9027655
Molecular FormulaC18H24N3O2S+
Molecular Weight346.48 g/mol
Exact Mass346.16
IUPAC Name2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)NCCc1cccs1
InChIInChI=1S/C18H23N3O2S/c22-16-5-3-15(4-6-16)21-11-9-20(10-12-21)14-18(23)19-8-7-17-2-1-13-24-17/h1-6,13,22H,7-12,14H2,(H,19,23)/p+1
InChIKeyXCTYTEXMDUWZDD-UHFFFAOYSA-O
XLogP0.52
TPSA57.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9028215
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9028497
1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide
CID 8557188
2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9035713
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CID 8591746
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9044697
N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8690899
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone
CID 8690719
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9127256
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8691263
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide
CID 16889915

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 9027655) is 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)NCCc1cccs1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is XCTYTEXMDUWZDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O2S/c22-16-5-3-15(4-6-16)21-11-9-20(10-12-21)14-18(23)19-8-7-17-2-1-13-24-17/h1-6,13,22H,7-12,14H2,(H,19,23)/p+1.
What are the key properties of 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 346.48 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 9027655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).