1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone

C14H22N2OS — CID 64978280

IUPAC1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone
SMILESCCC1CN(C(=O)Cc2ccsc2)C(CC)CN1
InChIInChI=1S/C14H22N2OS/c1-3-12-9-16(13(4-2)8-15-12)14(17)7-11-5-6-18-10-11/h5-6,10,12-13,15H,3-4,7-9H2,1-2H3
InChIKeyWRFZKKXPBJERCS-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.28
Rot. Bonds4

About 1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone

1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone (PubChem CID 64978280) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone
PubChem CID64978280
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone
SMILESCCC1CN(C(=O)Cc2ccsc2)C(CC)CN1
InChIInChI=1S/C14H22N2OS/c1-3-12-9-16(13(4-2)8-15-12)14(17)7-11-5-6-18-10-11/h5-6,10,12-13,15H,3-4,7-9H2,1-2H3
InChIKeyWRFZKKXPBJERCS-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(2,5-diethylpiperazin-1-yl)ethanone
CID 64977891
(2,5-diethylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 64977785
(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 64978414
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
1-(2,5-diethylpiperazin-1-yl)octan-1-one
CID 64978357
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-thiophen-3-ylethanone
CID 66212657
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 64978524
1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 64978172
1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 64978366
2-benzyl-5-ethyl-1-(thiophen-3-ylmethyl)piperazine
CID 64840995
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 81427853

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone (CID 64978280) is 1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone is CCC1CN(C(=O)Cc2ccsc2)C(CC)CN1.
What is the InChIKey of 1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone?
The InChIKey is WRFZKKXPBJERCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-12-9-16(13(4-2)8-15-12)14(17)7-11-5-6-18-10-11/h5-6,10,12-13,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone?
1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone has a molecular weight of 266.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 64978280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).