1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione

C18H20N2O3S — CID 2451423

IUPAC1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCN(c2ccc(O)cc2)CC1)c1cccs1
InChIInChI=1S/C18H20N2O3S/c21-15-5-3-14(4-6-15)19-9-11-20(12-10-19)18(23)8-7-16(22)17-2-1-13-24-17/h1-6,13,21H,7-12H2
InChIKeyMSUKWTIJCGOBAD-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.77
Rot. Bonds5

About 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione

1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione (PubChem CID 2451423) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
PubChem CID2451423
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)N1CCN(c2ccc(O)cc2)CC1)c1cccs1
InChIInChI=1S/C18H20N2O3S/c21-15-5-3-14(4-6-15)19-9-11-20(12-10-19)18(23)8-7-16(22)17-2-1-13-24-17/h1-6,13,21H,7-12H2
InChIKeyMSUKWTIJCGOBAD-UHFFFAOYSA-N
XLogP2.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
CID 2408596
1-(2,5-Dimethylthiophen-3-yl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 2559384
3-[4-(4-Hydroxyphenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 2981304
N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155550445
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 24978654
(E)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 2454926
1-(2,5-Dimethylthiophen-3-yl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 25162737
[4-(4-Methoxyphenyl)piperazin-1-yl](thiophen-2-yl)methanone
CID 674942
N-[1-[(4-hydroxyanilino)carbonyl]-2-(2-thienyl)vinyl]benzamide
CID 1724958
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 25331871
2-fluoro-N-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 1074688
1-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 2711911

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione?
The IUPAC name of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione (CID 2451423) is 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione is O=C(CCC(=O)N1CCN(c2ccc(O)cc2)CC1)c1cccs1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione?
The InChIKey is MSUKWTIJCGOBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-15-5-3-14(4-6-15)19-9-11-20(12-10-19)18(23)8-7-16(22)17-2-1-13-24-17/h1-6,13,21H,7-12H2.
What are the key properties of 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione?
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione has a molecular weight of 344.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione is sourced from PubChem (CID 2451423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).