(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

C20H26N2O2S — CID 78777539

IUPAC(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCCCc1sc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1CC
InChIInChI=1S/C20H26N2O2S/c1-3-5-18-15(4-2)14-19(25-18)20(24)22-12-10-21(11-13-22)16-6-8-17(23)9-7-16/h6-9,14,23H,3-5,10-13H2,1-2H3
InChIKeyYRUSVZZSJIPBGM-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.93
Rot. Bonds5

About (4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 78777539) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is (4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID78777539
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCCCc1sc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1CC
InChIInChI=1S/C20H26N2O2S/c1-3-5-18-15(4-2)14-19(25-18)20(24)22-12-10-21(11-13-22)16-6-8-17(23)9-7-16/h6-9,14,23H,3-5,10-13H2,1-2H3
InChIKeyYRUSVZZSJIPBGM-UHFFFAOYSA-N
XLogP3.93
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 134021901
1-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78904571
(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877318
6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175108
(5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 60629640
(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 155572084
ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 51109948
(4-ethyl-5-propylthiophen-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26260997
(4-bromo-5-ethylthiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2970245
(4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578288
[4-(3-chlorophenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 9146285
1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372038

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (CID 78777539) is (4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is CCCc1sc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1CC.
What is the InChIKey of (4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is YRUSVZZSJIPBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-3-5-18-15(4-2)14-19(25-18)20(24)22-12-10-21(11-13-22)16-6-8-17(23)9-7-16/h6-9,14,23H,3-5,10-13H2,1-2H3.
What are the key properties of (4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 358.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78777539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).