[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone

C17H20N2OS — CID 120740519

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccsc2)cc1
InChIInChI=1S/C17H20N2OS/c1-2-13-3-5-14(6-4-13)16-11-18-8-9-19(16)17(20)15-7-10-21-12-15/h3-7,10,12,16,18H,2,8-9,11H2,1H3
InChIKeyRWEPNZXHWAVGQP-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.10
Rot. Bonds3

About [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone

[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 120740519) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID120740519
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccsc2)cc1
InChIInChI=1S/C17H20N2OS/c1-2-13-3-5-14(6-4-13)16-11-18-8-9-19(16)17(20)15-7-10-21-12-15/h3-7,10,12,16,18H,2,8-9,11H2,1H3
InChIKeyRWEPNZXHWAVGQP-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
1-[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120741106
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]thiophene-3-carboxamide;hydrochloride
CID 120740428
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
CID 120740299
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 120740519) is [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone is CCc1ccc(C2CNCCN2C(=O)c2ccsc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is RWEPNZXHWAVGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-13-3-5-14(6-4-13)16-11-18-8-9-19(16)17(20)15-7-10-21-12-15/h3-7,10,12,16,18H,2,8-9,11H2,1H3.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 300.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 120740519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).